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

Systemtic Name: N-[4-(cyanomethyl)phenyl]-1-(3-fluorophenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-1-(3-fluorophenyl)-5-(4-piperidyl)pyrazole-4-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-1-(3-fluorophenyl)-5-(4-piperidinyl)-4-pyrazolecarboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-1-(3-fluorophenyl)-5-(4-piperidyl)pyrazole-4-carboxamide Formula: C23H22FN5O MolecularWeight: 403.452083

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=C(C=NN2C3=CC(=CC=C3)F)C(=O)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

C1CNCCC1C2=C(C=NN2C3=CC(=CC=C3)F)C(=O)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C23H22FN5O/c24-18-2-1-3-20(14-18)29-22(17-9-12-26-13-10-17)21(15-27-29)23(30)28-19-6-4-16(5-7-19)8-11-25/h1-7,14-15,17,26H,8-10,12-13H2,(H,28,30)