Molecular properties
- Formula
- C22H24ClN3O
- Molar mass
- 381.91 g·mol−1
- Exact mass
- 381.1608 Da
- 12
- PubChem CID
- 2267
Molecule record
4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one
C22H24ClN3O
381.91 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Aryl halide
Tertiary amine
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-methyl-1H-azepin-4-yl)-
- 4-(4-chlorobenzyl)-2-(1-methylazepan-4-yl)phthalazin-1(2H)-one
- 4-(p-Chlorobenzyl)-2-(hexahydro-1-methyl-1H-azepin-4-yl)-1-(2H)-phthalazinone
- 4-(p-chlorobenzyl)-2-(N-methylperhydroazepinyl-(4))-1-(2H)-phthalazinone
- 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)-1,2-dihydrophthalazin-1-one
- 58581-89-8
- A 5610
- Azelastina
Show all 24 synonyms
- Azelastina [INN-Spanish]
- Azelastine (INN)
- Azelastinum
- Azelastinum [INN-Latin]
- CHEBI:2950
- CHEMBL639
- DTXCID502638
- DTXSID6022638
- NSC-758971
- R01AC03
- R06AX19
- RefChem:54397
- S01GX07
- Vividrin akut Azelastin
- ZQI909440X
- azelastine
Structure identifiers
- Canonical SMILES
- CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1
- Isomeric SMILES
- CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl
- InChI
- InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3
- InChIKey
- MBUVEWMHONZEQD-UHFFFAOYSA-N
- PubChem CID
- 2267
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.