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

Systemtic Name: 1-[5-(azocan-1-yl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea hydrochloride Openeye Name: 1-[5-(azocan-1-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea hydrochloride CAS Name: 1-[5-(1-azocanyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea hydrochloride IUPAC Name: 1-[5-(azocan-1-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea hydrochloride Traditional Name: 1-[5-(azocan-1-yl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea hydrochloride Formula: C25H32ClN5O2 MolecularWeight: 470.00688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)N4CCCCCCC4)C.Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)N4CCCCCCC4)C.Cl

InChI

InChI=1S/C25H31N5O2.ClH/c1-18-11-10-12-19(17-18)26-25(32)28-22-24(31)29(2)21-14-7-6-13-20(21)23(27-22)30-15-8-4-3-5-9-16-30;/h6-7,10-14,17,22H,3-5,8-9,15-16H2,1-2H3,(H2,26,28,32);1H