3-[(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)amino]benzoic acid

Systemtic Name: 3-[(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)amino]benzoic acid Openeye Name: 3-[(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)amino]benzoic acid CAS Name: 3-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)amino]benzoic acid IUPAC Name: 3-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]benzoic acid Traditional Name: 3-[(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)amino]benzoic acid Formula: C20H14N4O2 MolecularWeight: 342.35076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NC4=CC=CC(=C4)C(=O)O)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NC4=CC=CC(=C4)C(=O)O)C#N

InChI

InChI=1S/C20H14N4O2/c1-12-9-18(22-14-6-4-5-13(10-14)20(25)26)24-17-8-3-2-7-16(17)23-19(24)15(12)11-21/h2-10,22H,1H3,(H,25,26)