ethyl 4-phenethyl-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-phenethyl-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 4-phenethyl-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-3-(1,2,4-triazol-1-yl)propyl]-4-phenethyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenethyl-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylate Traditional Name: 4-phenethyl-1-[3-(1,2,4-triazol-1-yl)propanoyl]isonipecotic acid ethyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)CCN2C=NC=N2)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)CCN2C=NC=N2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3/c1-2-28-20(27)21(10-8-18-6-4-3-5-7-18)11-14-24(15-12-21)19(26)9-13-25-17-22-16-23-25/h3-7,16-17H,2,8-15H2,1H3