N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide

Systemtic Name: N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide Openeye Name: N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide CAS Name: N-[3-cyano-4-[4-(2-hydroxyethyl)-1-piperazinyl]phenyl]-1-(4-fluorophenyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide Traditional Name: N-[3-cyano-4-[4-(2-hydroxyethyl)piperazino]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide Formula: C23H23FN6O2 MolecularWeight: 434.466123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C=C(C=C2)NC(=O)C3=CN(N=C3)C4=CC=C(C=C4)F)C#N

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C=C(C=C2)NC(=O)C3=CN(N=C3)C4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C23H23FN6O2/c24-19-1-4-21(5-2-19)30-16-18(15-26-30)23(32)27-20-3-6-22(17(13-20)14-25)29-9-7-28(8-10-29)11-12-31/h1-6,13,15-16,31H,7-12H2,(H,27,32)