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

Systemtic Name: tert-butyl 4-[[2-methoxy-4-[(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)carbonyl]phenyl]carbonylamino]-2-methyl-benzimidazole-1-carboxylate Openeye Name: tert-butyl 4-[[2-methoxy-4-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carbonyl)benzoyl]amino]-2-methyl-benzimidazole-1-carboxylate CAS Name: 4-[[[2-methoxy-4-[(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-oxomethyl]phenyl]-oxomethyl]amino]-2-methyl-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-methoxy-4-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carbonyl)benzoyl]amino]-2-methylbenzimidazole-1-carboxylate Traditional Name: 4-[[2-methoxy-4-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carbonyl)benzoyl]amino]-2-methyl-benzimidazole-1-carboxylic acid tert-butyl ester Formula: C32H35N5O5 MolecularWeight: 569.6508

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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)N4CCN(CC5=CC=CC=C54)C)OC

Isomeric SMILES

CC1=NC2=C(N1C(=O)OC(C)(C)C)C=CC=C2NC(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC5=CC=CC=C54)C)OC

InChI

InChI=1S/C32H35N5O5/c1-20-33-28-24(11-9-13-26(28)37(20)31(40)42-32(2,3)4)34-29(38)23-15-14-21(18-27(23)41-6)30(39)36-17-16-35(5)19-22-10-7-8-12-25(22)36/h7-15,18H,16-17,19H2,1-6H3,(H,34,38)