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

Systemtic Name: (3S)-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-1-ethanoyl-piperidine-3-carboxamide Openeye Name: (3S)-1-acetyl-N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidine-3-carboxamide CAS Name: (3S)-1-acetyl-N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-acetyl-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide Traditional Name: (3S)-1-acetyl-N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]nipecotamide Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3CCCN(C3)C(=O)C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)[C@H]3CCCN(C3)C(=O)C

InChI

InChI=1S/C21H28N4O2/c1-15-20(16(2)25(23-15)13-18-8-5-4-6-9-18)12-22-21(27)19-10-7-11-24(14-19)17(3)26/h4-6,8-9,19H,7,10-14H2,1-3H3,(H,22,27)/t19-/m0/s1