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

Systemtic Name: N-[3-cyano-4-(4-methylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Openeye Name: N-[3-cyano-4-(4-methylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide CAS Name: N-[3-cyano-4-(4-methyl-1-piperazinyl)phenyl]-1-(4-fluorophenyl)-5-methyl-4-pyrazolecarboxamide IUPAC Name: N-[3-cyano-4-(4-methylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide Traditional Name: N-[3-cyano-4-(4-methylpiperazino)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Formula: C23H23FN6O MolecularWeight: 418.466723

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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)N4CCN(CC4)C)C#N

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)N4CCN(CC4)C)C#N

InChI

InChI=1S/C23H23FN6O/c1-16-21(15-26-30(16)20-6-3-18(24)4-7-20)23(31)27-19-5-8-22(17(13-19)14-25)29-11-9-28(2)10-12-29/h3-8,13,15H,9-12H2,1-2H3,(H,27,31)