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

Systemtic Name: 1-[1-(2-cyclohexyl-2-oxidanylidene-ethyl)-5,9-dimethyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[1-(2-cyclohexyl-2-oxo-ethyl)-5,9-dimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-(2-cyclohexyl-2-oxoethyl)-5,9-dimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-(2-cyclohexyl-2-oxoethyl)-5,9-dimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[1-(2-cyclohexyl-2-keto-ethyl)-2-keto-5,9-dimethyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C27H32N4O3 MolecularWeight: 460.56798

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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)CC(=O)C4CCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O3/c1-17-9-7-13-21(15-17)29-27(34)30-25-26(33)31(16-23(32)20-11-5-4-6-12-20)24-18(2)10-8-14-22(24)19(3)28-25/h7-10,13-15,20,25H,4-6,11-12,16H2,1-3H3,(H2,29,30,34)