5-methyl-11-(3-piperidin-1-ylpropanoyl)benzo[b][1,4]benzodiazepin-6-one hydrochloride

Systemtic Name: 5-methyl-11-(3-piperidin-1-ylpropanoyl)benzo[b][1,4]benzodiazepin-6-one hydrochloride Openeye Name: 5-methyl-11-[3-(1-piperidyl)propanoyl]benzo[b][1,4]benzodiazepin-6-one hydrochloride CAS Name: 5-methyl-11-[1-oxo-3-(1-piperidinyl)propyl]-6-benzo[b][1,4]benzodiazepinone hydrochloride IUPAC Name: 5-methyl-11-(3-piperidin-1-ylpropanoyl)benzo[b][1,4]benzodiazepin-6-one hydrochloride Traditional Name: 5-methyl-11-(3-piperidinopropanoyl)benzo[b][1,4]benzodiazepin-6-one hydrochloride Formula: C22H26ClN3O2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)CCN4CCCCC4.Cl

Isomeric SMILES

CN1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)CCN4CCCCC4.Cl

InChI

InChI=1S/C22H25N3O2.ClH/c1-23-19-11-5-6-12-20(19)25(18-10-4-3-9-17(18)22(23)27)21(26)13-16-24-14-7-2-8-15-24;/h3-6,9-12H,2,7-8,13-16H2,1H3;1H