(3S)-N-phenyl-1-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)carbonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-phenyl-1-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)carbonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-phenyl-1-[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]piperidine-3-carboxamide CAS Name: (3S)-1-[oxo-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-phenyl-1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-3-carboxamide Traditional Name: (3S)-N-phenyl-1-[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]nipecotamide Formula: C27H25N5O2 MolecularWeight: 451.5197

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C27H25N5O2/c33-26(29-22-11-3-1-4-12-22)21-10-8-16-31(18-21)27(34)24-19-32(23-13-5-2-6-14-23)30-25(24)20-9-7-15-28-17-20/h1-7,9,11-15,17,19,21H,8,10,16,18H2,(H,29,33)/t21-/m0/s1