5-methyl-11-(2-pyrrolidin-1-ylethanoyl)benzo[b][1,4]benzodiazepin-6-one hydrochloride

Systemtic Name: 5-methyl-11-(2-pyrrolidin-1-ylethanoyl)benzo[b][1,4]benzodiazepin-6-one hydrochloride Openeye Name: 5-methyl-11-(2-pyrrolidin-1-ylacetyl)benzo[b][1,4]benzodiazepin-6-one hydrochloride CAS Name: 5-methyl-11-[1-oxo-2-(1-pyrrolidinyl)ethyl]-6-benzo[b][1,4]benzodiazepinone hydrochloride IUPAC Name: 5-methyl-11-(2-pyrrolidin-1-ylacetyl)benzo[b][1,4]benzodiazepin-6-one hydrochloride Traditional Name: 5-methyl-11-(2-pyrrolidinoacetyl)benzo[b][1,4]benzodiazepin-6-one hydrochloride Formula: C20H22ClN3O2 MolecularWeight: 371.86058

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)CN4CCCC4.Cl

Isomeric SMILES

CN1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)CN4CCCC4.Cl

InChI

InChI=1S/C20H21N3O2.ClH/c1-21-17-10-4-5-11-18(17)23(19(24)14-22-12-6-7-13-22)16-9-3-2-8-15(16)20(21)25;/h2-5,8-11H,6-7,12-14H2,1H3;1H