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Molecule record

[(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

C23H23ClN6O2

450.93 g/mol

Loading structure

Molecular properties

Formula
C23H23ClN6O2
Molar mass
450.93 g·mol−1
Exact mass
450.1571 Da
15
PubChem CID
24965990

Functional groups

Alkane / alkyl carbon
Amide
Aromatic ring
Aryl halide
Tertiary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • (4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl)(5-methyl-2-(2h-1,2,3-triazol-2-yl)phenyl)methanone
  • (R)-(4-(5-Chlorobenzo[d]oxazol-2-yl)-7-methyl-1,4-diazepan-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone
  • 081L192FO9
  • 1030377-33-3
  • 5-Chloro-2-[(5R)-5-methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl]-1,3-benzoxazole
  • BELSOMRA
  • BELSOMRA COMPONENT SUVOREXANT
  • Belsomra (TN)
Show all 24 synonyms
  • C23H23ClN6O2
  • CHEBI:82698
  • CHEMBL1083659
  • DTXCID0068107
  • DTXSID90145616
  • MFCD22377755
  • MK-4305
  • MK4305
  • N05CM19
  • RefChem:56329
  • Suvorexant
  • Suvorexant (MK-4305)
  • Suvorexant [USAN:INN]
  • UNII-081L192FO9
  • [(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone
  • suvorexantum

Structure identifiers

Canonical SMILES
Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4cc(Cl)ccc4o3)CC[C@H]2C)c1
Isomeric SMILES
C[C@@H]1CCN(CCN1C(=O)C2=C(C=CC(=C2)C)N3N=CC=N3)C4=NC5=C(O4)C=CC(=C5)Cl
InChI
InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1
InChIKey
JYTNQNCOQXFQPK-MRXNPFEDSA-N
PubChem CID
24965990

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record