(3S)-1-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]carbonyl-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]carbonyl-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-(1-benzyl-3,5-dimethyl-pyrazole-4-carbonyl)-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1-benzyl-3,5-dimethylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-(1-benzyl-3,5-dimethyl-pyrazole-4-carbonyl)-N-phenyl-nipecotamide Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N3CCCC(C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N3CCC[C@@H](C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2/c1-18-23(19(2)29(27-18)16-20-10-5-3-6-11-20)25(31)28-15-9-12-21(17-28)24(30)26-22-13-7-4-8-14-22/h3-8,10-11,13-14,21H,9,12,15-17H2,1-2H3,(H,26,30)/t21-/m0/s1