(3S)-1-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-[(4-hydroxy-3,5-dimethyl-phenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide CAS Name: (3S)-1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-N-[3-(1-pyrazolyl)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(4-hydroxy-3,5-dimethyl-benzyl)-N-(3-pyrazol-1-ylphenyl)nipecotamide Formula: C24H28N4O2 MolecularWeight: 404.50472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CN2CCCC(C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CN2CCC[C@@H](C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C24H28N4O2/c1-17-12-19(13-18(2)23(17)29)15-27-10-4-6-20(16-27)24(30)26-21-7-3-8-22(14-21)28-11-5-9-25-28/h3,5,7-9,11-14,20,29H,4,6,10,15-16H2,1-2H3,(H,26,30)/t20-/m0/s1