[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

InChI

InChI=1S/C21H22N4O3/c1-14-4-3-9-25(12-14)19(26)13-28-21(27)15-6-7-17-18(10-15)24-20(23-17)16-5-2-8-22-11-16/h2,5-8,10-11,14H,3-4,9,12-13H2,1H3,(H,23,24)