tert-butyl 4-[[2-methoxy-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)phenyl]carbonylamino]-2-methyl-benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-methoxy-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)phenyl]carbonylamino]-2-methyl-benzimidazole-1-carboxylate Openeye Name: tert-butyl 4-[[2-methoxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzoyl]amino]-2-methyl-benzimidazole-1-carboxylate CAS Name: 4-[[[2-methoxy-4-[oxo(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]phenyl]-oxomethyl]amino]-2-methyl-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-methoxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzoyl]amino]-2-methylbenzimidazole-1-carboxylate Traditional Name: 4-[[2-methoxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzoyl]amino]-2-methyl-benzimidazole-1-carboxylic acid tert-butyl ester Formula: C32H34N4O5 MolecularWeight: 554.63616

Click to see the large picture

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)N4CCCCC5=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)N4CCCCC5=CC=CC=C54)OC

InChI

InChI=1S/C32H34N4O5/c1-20-33-28-24(13-10-15-26(28)36(20)31(39)41-32(2,3)4)34-29(37)23-17-16-22(19-27(23)40-5)30(38)35-18-9-8-12-21-11-6-7-14-25(21)35/h6-7,10-11,13-17,19H,8-9,12,18H2,1-5H3,(H,34,37)