ethyl 5-cyano-2-methyl-6-[4-[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[4-[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-piperidyl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[4-[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]-1-piperidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(5-benzyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[4-(5-benzyl-1H-1,2,4-triazol-3-yl)piperidino]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C24H26N6O2 MolecularWeight: 430.50224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C3=NNC(=N3)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C3=NNC(=N3)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H26N6O2/c1-3-32-24(31)20-14-19(15-25)23(26-16(20)2)30-11-9-18(10-12-30)22-27-21(28-29-22)13-17-7-5-4-6-8-17/h4-8,14,18H,3,9-13H2,1-2H3,(H,27,28,29)