N-[3-cyano-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[3-cyano-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Openeye Name: N-[3-cyano-4-[4-(1-piperidyl)-1-piperidyl]phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide CAS Name: N-[3-cyano-4-[4-(1-piperidinyl)-1-piperidinyl]phenyl]-1-(4-fluorophenyl)-5-methyl-4-pyrazolecarboxamide IUPAC Name: N-[3-cyano-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide Traditional Name: N-[3-cyano-4-(4-piperidinopiperidino)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Formula: C28H31FN6O MolecularWeight: 486.583743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)N4CCC(CC4)N5CCCCC5)C#N

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)N4CCC(CC4)N5CCCCC5)C#N

InChI

InChI=1S/C28H31FN6O/c1-20-26(19-31-35(20)25-8-5-22(29)6-9-25)28(36)32-23-7-10-27(21(17-23)18-30)34-15-11-24(12-16-34)33-13-3-2-4-14-33/h5-10,17,19,24H,2-4,11-16H2,1H3,(H,32,36)