1-(3-methylphenyl)-3-[1-(2-methylpropyl)-2-oxidanylidene-5-piperidin-4-yl-3H-1,4-benzodiazepin-3-yl]urea

Systemtic Name: 1-(3-methylphenyl)-3-[1-(2-methylpropyl)-2-oxidanylidene-5-piperidin-4-yl-3H-1,4-benzodiazepin-3-yl]urea Openeye Name: 1-[1-isobutyl-2-oxo-5-(4-piperidyl)-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-(3-methylphenyl)-3-[1-(2-methylpropyl)-2-oxo-5-(4-piperidinyl)-3H-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-(3-methylphenyl)-3-[1-(2-methylpropyl)-2-oxo-5-piperidin-4-yl-3H-1,4-benzodiazepin-3-yl]urea Traditional Name: 1-[1-isobutyl-2-keto-5-(4-piperidyl)-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C26H33N5O2 MolecularWeight: 447.57252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4CCNCC4)CC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4CCNCC4)CC(C)C

InChI

InChI=1S/C26H33N5O2/c1-17(2)16-31-22-10-5-4-9-21(22)23(19-11-13-27-14-12-19)29-24(25(31)32)30-26(33)28-20-8-6-7-18(3)15-20/h4-10,15,17,19,24,27H,11-14,16H2,1-3H3,(H2,28,30,33)