11-[3-(azepan-1-yl)propyl]-6-methyl-pyrido[3,2-c][1,5]benzodiazepin-5-one hydrochloride

Systemtic Name: 11-[3-(azepan-1-yl)propyl]-6-methyl-pyrido[3,2-c][1,5]benzodiazepin-5-one hydrochloride Openeye Name: 11-[3-(azepan-1-yl)propyl]-6-methyl-pyrido[3,2-c][1,5]benzodiazepin-5-one hydrochloride CAS Name: 11-[3-(1-azepanyl)propyl]-6-methyl-5-pyrido[3,2-c][1,5]benzodiazepinone hydrochloride IUPAC Name: 11-[3-(azepan-1-yl)propyl]-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one hydrochloride Traditional Name: 11-[3-(azepan-1-yl)propyl]-6-methyl-pyrido[3,2-c][1,5]benzodiazepin-5-one hydrochloride Formula: C22H29ClN4O MolecularWeight: 400.94486

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C3=C(C1=O)C=CC=N3)CCCN4CCCCCC4.Cl

Isomeric SMILES

CN1C2=CC=CC=C2N(C3=C(C1=O)C=CC=N3)CCCN4CCCCCC4.Cl

InChI

InChI=1S/C22H28N4O.ClH/c1-24-19-11-4-5-12-20(19)26(21-18(22(24)27)10-8-13-23-21)17-9-16-25-14-6-2-3-7-15-25;/h4-5,8,10-13H,2-3,6-7,9,14-17H2,1H3;1H