ethyl (3S)-1-[(1,5-diphenyl-1,2,4-triazol-3-yl)carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(1,5-diphenyl-1,2,4-triazol-3-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(1,5-diphenyl-1,2,4-triazol-3-yl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)nipecotic acid ethyl ester Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O3/c1-2-30-23(29)18-12-9-15-26(16-18)22(28)20-24-21(17-10-5-3-6-11-17)27(25-20)19-13-7-4-8-14-19/h3-8,10-11,13-14,18H,2,9,12,15-16H2,1H3/t18-/m0/s1