methyl 2-[2-azanyl-5-(3-methoxyphenyl)pyridin-3-yl]-3H-benzimidazole-5-carboxylate

Systemtic Name: methyl 2-[2-azanyl-5-(3-methoxyphenyl)pyridin-3-yl]-3H-benzimidazole-5-carboxylate Openeye Name: methyl 2-[2-amino-5-(3-methoxyphenyl)-3-pyridyl]-3H-benzimidazole-5-carboxylate CAS Name: 2-[2-amino-5-(3-methoxyphenyl)-3-pyridinyl]-3H-benzimidazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-amino-5-(3-methoxyphenyl)pyridin-3-yl]-3H-benzimidazole-5-carboxylate Traditional Name: 2-[2-amino-5-(3-methoxyphenyl)-3-pyridyl]-3H-benzimidazole-5-carboxylic acid methyl ester Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=C(N=C2)N)C3=NC4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=C(N=C2)N)C3=NC4=C(N3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C21H18N4O3/c1-27-15-5-3-4-12(8-15)14-9-16(19(22)23-11-14)20-24-17-7-6-13(21(26)28-2)10-18(17)25-20/h3-11H,1-2H3,(H2,22,23)(H,24,25)