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

Systemtic Name: methyl 3-[[1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoate Openeye Name: methyl 3-[[1-[2-(o-tolyl)-2-oxo-ethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoate CAS Name: 3-[[[[1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoate Traditional Name: 3-[[2-keto-1-[2-keto-2-(o-tolyl)ethyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid methyl ester Formula: C33H28N4O5 MolecularWeight: 560.59922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)OC)C5=CC=CC=C5

InChI

InChI=1S/C33H28N4O5/c1-21-11-6-7-16-25(21)28(38)20-37-27-18-9-8-17-26(27)29(22-12-4-3-5-13-22)35-30(31(37)39)36-33(41)34-24-15-10-14-23(19-24)32(40)42-2/h3-19,30H,20H2,1-2H3,(H2,34,36,41)