4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-3-yl)phthalazin-1-one hydrochloride

Systemtic Name: 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-3-yl)phthalazin-1-one hydrochloride Openeye Name: 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-3-yl)phthalazin-1-one hydrochloride CAS Name: 4-[(4-chlorophenyl)methyl]-2-(1-methyl-3-azepanyl)-1-phthalazinone hydrochloride IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-3-yl)phthalazin-1-one hydrochloride Traditional Name: 4-(4-chlorobenzyl)-2-(1-methylazepan-3-yl)phthalazin-1-one hydrochloride Formula: C22H25Cl2N3O MolecularWeight: 418.3594

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC(C1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl.Cl

Isomeric SMILES

CN1CCCCC(C1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl.Cl

InChI

InChI=1S/C22H24ClN3O.ClH/c1-25-13-5-4-6-18(15-25)26-22(27)20-8-3-2-7-19(20)21(24-26)14-16-9-11-17(23)12-10-16;/h2-3,7-12,18H,4-6,13-15H2,1H3;1H