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

Systemtic Name: 1-[1-(2-cyclohexyl-2-oxidanylidene-ethyl)-9-methyl-2-oxidanylidene-5-propan-2-yl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[1-(2-cyclohexyl-2-oxo-ethyl)-5-isopropyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-(2-cyclohexyl-2-oxoethyl)-9-methyl-2-oxo-5-propan-2-yl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-(2-cyclohexyl-2-oxoethyl)-9-methyl-2-oxo-5-propan-2-yl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[1-(2-cyclohexyl-2-keto-ethyl)-5-isopropyl-2-keto-9-methyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C29H36N4O3 MolecularWeight: 488.62114

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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)C(C)C)CC(=O)C4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=C(C=CC=C3C)C(=N2)C(C)C)CC(=O)C4CCCCC4

InChI

InChI=1S/C29H36N4O3/c1-18(2)25-23-15-9-11-20(4)26(23)33(17-24(34)21-12-6-5-7-13-21)28(35)27(31-25)32-29(36)30-22-14-8-10-19(3)16-22/h8-11,14-16,18,21,27H,5-7,12-13,17H2,1-4H3,(H2,30,32,36)