1-[2,4-bis(fluoranyl)phenyl]carbonyl-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]carbonyl-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]piperidine-4-carboxamide Openeye Name: 1-(2,4-difluorobenzoyl)-N-[(6-pyrazol-1-yl-3-pyridyl)methyl]piperidine-4-carboxamide CAS Name: 1-[(2,4-difluorophenyl)-oxomethyl]-N-[[6-(1-pyrazolyl)-3-pyridinyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(2,4-difluorobenzoyl)-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]piperidine-4-carboxamide Traditional Name: 1-(2,4-difluorobenzoyl)-N-[(6-pyrazol-1-yl-3-pyridyl)methyl]isonipecotamide Formula: C22H21F2N5O2 MolecularWeight: 425.431246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CN=C(C=C2)N3C=CC=N3)C(=O)C4=C(C=C(C=C4)F)F

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CN=C(C=C2)N3C=CC=N3)C(=O)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C22H21F2N5O2/c23-17-3-4-18(19(24)12-17)22(31)28-10-6-16(7-11-28)21(30)26-14-15-2-5-20(25-13-15)29-9-1-8-27-29/h1-5,8-9,12-13,16H,6-7,10-11,14H2,(H,26,30)