1-[1-(2-cyclohexyl-2-oxidanylidene-ethyl)-5-cyclopropyl-9-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[1-(2-cyclohexyl-2-oxidanylidene-ethyl)-5-cyclopropyl-9-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[1-(2-cyclohexyl-2-oxo-ethyl)-5-cyclopropyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-(2-cyclohexyl-2-oxoethyl)-5-cyclopropyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-(2-cyclohexyl-2-oxoethyl)-5-cyclopropyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[1-(2-cyclohexyl-2-keto-ethyl)-5-cyclopropyl-2-keto-9-methyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C29H34N4O3 MolecularWeight: 486.60526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=C(C=CC=C3C)C(=N2)C4CC4)CC(=O)C5CCCCC5

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=C(C=CC=C3C)C(=N2)C4CC4)CC(=O)C5CCCCC5

InChI

InChI=1S/C29H34N4O3/c1-18-8-6-12-22(16-18)30-29(36)32-27-28(35)33(17-24(34)20-10-4-3-5-11-20)26-19(2)9-7-13-23(26)25(31-27)21-14-15-21/h6-9,12-13,16,20-21,27H,3-5,10-11,14-15,17H2,1-2H3,(H2,30,32,36)