ethyl (3S)-1-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[oxo-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-1-[1-phenyl-3-(3-pyridyl)pyrazole-4-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=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

InChI

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