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

Systemtic Name: tert-butyl 4-[[2-methoxy-4-(2,3,4,5-tetrahydropyrido[3,4-b]azepin-1-ylcarbonyl)phenyl]carbonylamino]-2-methyl-benzimidazole-1-carboxylate Openeye Name: tert-butyl 4-[[2-methoxy-4-(2,3,4,5-tetrahydropyrido[3,4-b]azepine-1-carbonyl)benzoyl]amino]-2-methyl-benzimidazole-1-carboxylate CAS Name: 4-[[[2-methoxy-4-[oxo(2,3,4,5-tetrahydropyrido[3,4-b]azepin-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-tetrahydropyrido[3,4-b]azepine-1-carbonyl)benzoyl]amino]-2-methylbenzimidazole-1-carboxylate Traditional Name: 4-[[2-methoxy-4-(2,3,4,5-tetrahydropyrid[3,4-b]azepine-1-carbonyl)benzoyl]amino]-2-methyl-benzimidazole-1-carboxylic acid tert-butyl ester Formula: C31H33N5O5 MolecularWeight: 555.62422

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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)N4CCCCC5=C4C=NC=C5)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=C4C=NC=C5)OC

InChI

InChI=1S/C31H33N5O5/c1-19-33-27-23(10-8-11-24(27)36(19)30(39)41-31(2,3)4)34-28(37)22-13-12-21(17-26(22)40-5)29(38)35-16-7-6-9-20-14-15-32-18-25(20)35/h8,10-15,17-18H,6-7,9,16H2,1-5H3,(H,34,37)