1-(3-methylphenyl)-3-[5-(1-methylpiperidin-2-yl)-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl]urea hydrochloride

Systemtic Name: 1-(3-methylphenyl)-3-[5-(1-methylpiperidin-2-yl)-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl]urea hydrochloride Openeye Name: 1-[5-(1-methyl-2-piperidyl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea hydrochloride CAS Name: 1-(3-methylphenyl)-3-[5-(1-methyl-2-piperidinyl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]urea hydrochloride IUPAC Name: 1-(3-methylphenyl)-3-[5-(1-methylpiperidin-2-yl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]urea hydrochloride Traditional Name: 1-[2-keto-5-(1-methyl-2-piperidyl)-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea hydrochloride Formula: C26H34ClN5O2 MolecularWeight: 484.03346

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C)C4CCCCN4C.Cl

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C)C4CCCCN4C.Cl

InChI

InChI=1S/C26H33N5O2.ClH/c1-4-15-31-21-13-6-5-12-20(21)23(22-14-7-8-16-30(22)3)28-24(25(31)32)29-26(33)27-19-11-9-10-18(2)17-19;/h5-6,9-13,17,22,24H,4,7-8,14-16H2,1-3H3,(H2,27,29,33);1H