1-[1-cyclohexylcarbonyl-7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]urea

Systemtic Name: 1-[1-cyclohexylcarbonyl-7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Openeye Name: [1-(cyclohexanecarbonyl)-7-methyl-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]urea CAS Name: [1-[cyclohexyl(oxo)methyl]-7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]urea IUPAC Name: [1-(cyclohexanecarbonyl)-7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Traditional Name: [1-(cyclohexanecarbonyl)-4-keto-5-[2-keto-2-(o-tolyl)ethyl]-7-methyl-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CC=C3C)NC(=O)N)C(=O)C4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CC=C3C)NC(=O)N)C(=O)C4CCCCC4

InChI

InChI=1S/C27H32N4O4/c1-17-12-13-22-23(14-17)31(16-24(32)20-11-7-6-8-18(20)2)26(34)21(29-27(28)35)15-30(22)25(33)19-9-4-3-5-10-19/h6-8,11-14,19,21H,3-5,9-10,15-16H2,1-2H3,(H3,28,29,35)