ethyl 1-[4-(1,2,4-triazol-1-yl)phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-(1,2,4-triazol-1-yl)phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-(1,2,4-triazol-1-yl)benzoyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[4-(1,2,4-triazol-1-yl)phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1,2,4-triazol-1-yl)benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-(1,2,4-triazol-1-yl)benzoyl]nipecotic acid ethyl ester Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C17H20N4O3/c1-2-24-17(23)14-4-3-9-20(10-14)16(22)13-5-7-15(8-6-13)21-12-18-11-19-21/h5-8,11-12,14H,2-4,9-10H2,1H3