tert-butyl 4-[[2-methoxy-4-[(5-oxidanylidene-3,4-dihydro-2H-1,4-benzodiazepin-1-yl)carbonyl]phenyl]carbonylamino]-2-methyl-benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-methoxy-4-[(5-oxidanylidene-3,4-dihydro-2H-1,4-benzodiazepin-1-yl)carbonyl]phenyl]carbonylamino]-2-methyl-benzimidazole-1-carboxylate Openeye Name: tert-butyl 4-[[2-methoxy-4-(5-oxo-3,4-dihydro-2H-1,4-benzodiazepine-1-carbonyl)benzoyl]amino]-2-methyl-benzimidazole-1-carboxylate CAS Name: 4-[[[2-methoxy-4-[oxo-(5-oxo-3,4-dihydro-2H-1,4-benzodiazepin-1-yl)methyl]phenyl]-oxomethyl]amino]-2-methyl-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-methoxy-4-(5-oxo-3,4-dihydro-2H-1,4-benzodiazepine-1-carbonyl)benzoyl]amino]-2-methylbenzimidazole-1-carboxylate Traditional Name: 4-[[4-(5-keto-3,4-dihydro-2H-1,4-benzodiazepine-1-carbonyl)-2-methoxy-benzoyl]amino]-2-methyl-benzimidazole-1-carboxylic acid tert-butyl ester Formula: C31H31N5O6 MolecularWeight: 569.60774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C(=O)OC(C)(C)C)C=CC=C2NC(=O)C3=C(C=C(C=C3)C(=O)N4CCNC(=O)C5=CC=CC=C54)OC

Isomeric SMILES

CC1=NC2=C(N1C(=O)OC(C)(C)C)C=CC=C2NC(=O)C3=C(C=C(C=C3)C(=O)N4CCNC(=O)C5=CC=CC=C54)OC

InChI

InChI=1S/C31H31N5O6/c1-18-33-26-22(10-8-12-24(26)36(18)30(40)42-31(2,3)4)34-28(38)21-14-13-19(17-25(21)41-5)29(39)35-16-15-32-27(37)20-9-6-7-11-23(20)35/h6-14,17H,15-16H2,1-5H3,(H,32,37)(H,34,38)