methyl 2-[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]ethanoate

Systemtic Name: methyl 2-[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]ethanoate Openeye Name: methyl 2-[[2-[(4-cyanoanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]acetate CAS Name: 2-[[[2-[(4-cyanoanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-pyridinyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]acetate Traditional Name: 2-[[2-[(4-cyanoanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]acetic acid methyl ester Formula: C25H22N6O3 MolecularWeight: 454.48058

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CC(=O)OC)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CC(=O)OC)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H22N6O3/c1-30-21-11-8-18(25(33)31(16-24(32)34-2)22-5-3-4-12-27-22)13-20(21)29-23(30)15-28-19-9-6-17(14-26)7-10-19/h3-13,28H,15-16H2,1-2H3