(3S)-N-[3-(4-fluorophenyl)phenyl]-1-(1H-pyrazol-4-ylcarbonyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[3-(4-fluorophenyl)phenyl]-1-(1H-pyrazol-4-ylcarbonyl)piperidine-3-carboxamide Openeye Name: (3S)-N-[3-(4-fluorophenyl)phenyl]-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[3-(4-fluorophenyl)phenyl]-1-[oxo(1H-pyrazol-4-yl)methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-[3-(4-fluorophenyl)phenyl]-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide Traditional Name: (3S)-N-[3-(4-fluorophenyl)phenyl]-1-(1H-pyrazole-4-carbonyl)nipecotamide Formula: C22H21FN4O2 MolecularWeight: 392.426143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CNN=C2)C(=O)NC3=CC=CC(=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CNN=C2)C(=O)NC3=CC=CC(=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN4O2/c23-19-8-6-15(7-9-19)16-3-1-5-20(11-16)26-21(28)17-4-2-10-27(14-17)22(29)18-12-24-25-13-18/h1,3,5-9,11-13,17H,2,4,10,14H2,(H,24,25)(H,26,28)/t17-/m0/s1