tert-butyl 1-[[1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-imidazo[4,5-c]pyridine-3-carboxylate

Systemtic Name: tert-butyl 1-[[1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-imidazo[4,5-c]pyridine-3-carboxylate Openeye Name: tert-butyl 1-[[1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-2-oxo-imidazo[4,5-c]pyridine-3-carboxylate CAS Name: 1-[[1-(3-cyanopropyl)-2-benzimidazolyl]methyl]-2-oxo-3-imidazo[4,5-c]pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[[1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridine-3-carboxylate Traditional Name: 1-[[1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-2-keto-imidazo[4,5-c]pyridine-3-carboxylic acid tert-butyl ester Formula: C23H24N6O3 MolecularWeight: 432.47506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=CN=C2)N(C1=O)CC3=NC4=CC=CC=C4N3CCCC#N

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=CN=C2)N(C1=O)CC3=NC4=CC=CC=C4N3CCCC#N

InChI

InChI=1S/C23H24N6O3/c1-23(2,3)32-22(31)29-19-14-25-12-10-18(19)28(21(29)30)15-20-26-16-8-4-5-9-17(16)27(20)13-7-6-11-24/h4-5,8-10,12,14H,6-7,13,15H2,1-3H3