N-(3-cyano-4-piperazin-1-yl-phenyl)-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide

Systemtic Name: N-(3-cyano-4-piperazin-1-yl-phenyl)-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Openeye Name: N-(3-cyano-4-piperazin-1-yl-phenyl)-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide CAS Name: N-[3-cyano-4-(1-piperazinyl)phenyl]-1-(4-fluorophenyl)-5-methyl-4-pyrazolecarboxamide IUPAC Name: N-(3-cyano-4-piperazin-1-ylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide Traditional Name: N-(3-cyano-4-piperazino-phenyl)-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Formula: C22H21FN6O MolecularWeight: 404.440143

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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)N4CCNCC4)C#N

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)N4CCNCC4)C#N

InChI

InChI=1S/C22H21FN6O/c1-15-20(14-26-29(15)19-5-2-17(23)3-6-19)22(30)27-18-4-7-21(16(12-18)13-24)28-10-8-25-9-11-28/h2-7,12,14,25H,8-11H2,1H3,(H,27,30)