N-cyclohexyl-3-[(3-methylphenyl)carbamoylamino]-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepine-1-carboxamide

Systemtic Name: N-cyclohexyl-3-[(3-methylphenyl)carbamoylamino]-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepine-1-carboxamide Openeye Name: N-cyclohexyl-3-(m-tolylcarbamoylamino)-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carboxamide CAS Name: N-cyclohexyl-3-[[(3-methylanilino)-oxomethyl]amino]-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carboxamide IUPAC Name: N-cyclohexyl-3-[(3-methylphenyl)carbamoylamino]-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carboxamide Traditional Name: N-cyclohexyl-4-keto-5-[2-keto-2-(o-tolyl)ethyl]-3-(m-tolylcarbamoylamino)-2,3-dihydro-1,5-benzodiazepine-1-carboxamide Formula: C33H37N5O4 MolecularWeight: 567.67798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC(=O)C4=CC=CC=C4C)C(=O)NC5CCCCC5

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC(=O)C4=CC=CC=C4C)C(=O)NC5CCCCC5

InChI

InChI=1S/C33H37N5O4/c1-22-11-10-15-25(19-22)34-32(41)36-27-20-38(33(42)35-24-13-4-3-5-14-24)29-18-9-8-17-28(29)37(31(27)40)21-30(39)26-16-7-6-12-23(26)2/h6-12,15-19,24,27H,3-5,13-14,20-21H2,1-2H3,(H,35,42)(H2,34,36,41)