methyl 1-[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-b]pyridin-5-yl]piperidine-2-carboxylate

Systemtic Name: methyl 1-[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-b]pyridin-5-yl]piperidine-2-carboxylate Openeye Name: methyl 1-[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-b]pyridin-5-yl]piperidine-2-carboxylate CAS Name: 1-[2-(4-carbamimidoylphenyl)-3-methyl-5-imidazo[4,5-b]pyridinyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-carbamimidoylphenyl)-3-methylimidazo[4,5-b]pyridin-5-yl]piperidine-2-carboxylate Traditional Name: 1-[2-(4-amidinophenyl)-3-methyl-imidazo[4,5-b]pyridin-5-yl]pipecolinic acid methyl ester Formula: C21H24N6O2 MolecularWeight: 392.45426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=N2)N3CCCCC3C(=O)OC)N=C1C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=CC(=N2)N3CCCCC3C(=O)OC)N=C1C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C21H24N6O2/c1-26-19(14-8-6-13(7-9-14)18(22)23)24-15-10-11-17(25-20(15)26)27-12-4-3-5-16(27)21(28)29-2/h6-11,16H,3-5,12H2,1-2H3,(H3,22,23)