ethyl 1-[(6-methylpyridin-2-yl)methyl]-2-(piperidin-4-ylamino)benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-[(6-methylpyridin-2-yl)methyl]-2-(piperidin-4-ylamino)benzimidazole-5-carboxylate Openeye Name: ethyl 1-[(6-methyl-2-pyridyl)methyl]-2-(4-piperidylamino)benzimidazole-5-carboxylate CAS Name: 1-[(6-methyl-2-pyridinyl)methyl]-2-(4-piperidinylamino)-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-methylpyridin-2-yl)methyl]-2-(piperidin-4-ylamino)benzimidazole-5-carboxylate Traditional Name: 1-[(6-methyl-2-pyridyl)methyl]-2-(4-piperidylamino)benzimidazole-5-carboxylic acid ethyl ester Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)NC3CCNCC3)CC4=CC=CC(=N4)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)NC3CCNCC3)CC4=CC=CC(=N4)C

InChI

InChI=1S/C22H27N5O2/c1-3-29-21(28)16-7-8-20-19(13-16)26-22(25-17-9-11-23-12-10-17)27(20)14-18-6-4-5-15(2)24-18/h4-8,13,17,23H,3,9-12,14H2,1-2H3,(H,25,26)