ethyl 5-[2-(2-ethoxycarbonyl-2-methyl-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethanoyl]-2-methyl-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepine-2-carboxylate

Systemtic Name: ethyl 5-[2-(2-ethoxycarbonyl-2-methyl-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethanoyl]-2-methyl-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepine-2-carboxylate Openeye Name: ethyl 5-[2-(2-ethoxycarbonyl-2-methyl-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxo-acetyl]-2-methyl-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepine-2-carboxylate CAS Name: 5-[2-(2-ethoxycarbonyl-2-methyl-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-1,2-dioxoethyl]-2-methyl-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(2-ethoxycarbonyl-2-methyl-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoacetyl]-2-methyl-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepine-2-carboxylate Traditional Name: 5-[2-(2-carbethoxy-2-methyl-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-keto-acetyl]-2-methyl-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepine-2-carboxylic acid ethyl ester Formula: C40H42N4O6 MolecularWeight: 674.78468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(N(C2=CC=CC=C2N1)C(=O)C(=O)N3C(CC(NC4=CC=CC=C43)(C)C(=O)OCC)C5=CC=CC=C5)C6=CC=CC=C6)C

Isomeric SMILES

CCOC(=O)C1(CC(N(C2=CC=CC=C2N1)C(=O)C(=O)N3C(CC(NC4=CC=CC=C43)(C)C(=O)OCC)C5=CC=CC=C5)C6=CC=CC=C6)C

InChI

InChI=1S/C40H42N4O6/c1-5-49-37(47)39(3)25-33(27-17-9-7-10-18-27)43(31-23-15-13-21-29(31)41-39)35(45)36(46)44-32-24-16-14-22-30(32)42-40(4,38(48)50-6-2)26-34(44)28-19-11-8-12-20-28/h7-24,33-34,41-42H,5-6,25-26H2,1-4H3