ethyl 3-[[7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1H-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate

Systemtic Name: ethyl 3-[[7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1H-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Openeye Name: ethyl 3-[[7-methyl-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate CAS Name: 3-[[[[7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Traditional Name: 3-[[4-keto-5-[2-keto-2-(o-tolyl)ethyl]-7-methyl-2,3-dihydro-1H-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid ethyl ester Formula: C29H30N4O5 MolecularWeight: 514.5723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)NC2CNC3=C(C=C(C=C3)C)N(C2=O)CC(=O)C4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)NC2CNC3=C(C=C(C=C3)C)N(C2=O)CC(=O)C4=CC=CC=C4C

InChI

InChI=1S/C29H30N4O5/c1-4-38-28(36)20-9-7-10-21(15-20)31-29(37)32-24-16-30-23-13-12-18(2)14-25(23)33(27(24)35)17-26(34)22-11-6-5-8-19(22)3/h5-15,24,30H,4,16-17H2,1-3H3,(H2,31,32,37)