ethyl 1-(phenylmethyl)-4-(1,2,4-triazol-1-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(phenylmethyl)-4-(1,2,4-triazol-1-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-benzyl-4-(1,2,4-triazol-1-yl)piperidine-4-carboxylate CAS Name: 1-(phenylmethyl)-4-(1,2,4-triazol-1-yl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(1,2,4-triazol-1-yl)piperidine-4-carboxylate Traditional Name: 1-benzyl-4-(1,2,4-triazol-1-yl)isonipecotic acid ethyl ester Formula: C17H22N4O2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)N3C=NC=N3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)N3C=NC=N3

InChI

InChI=1S/C17H22N4O2/c1-2-23-16(22)17(21-14-18-13-19-21)8-10-20(11-9-17)12-15-6-4-3-5-7-15/h3-7,13-14H,2,8-12H2,1H3