4-[[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]piperazino]methyl]benzonitrile Formula: C22H20FN5O MolecularWeight: 389.425503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=C(NN=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=C(NN=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H20FN5O/c23-19-7-5-18(6-8-19)21-20(14-25-26-21)22(29)28-11-9-27(10-12-28)15-17-3-1-16(13-24)2-4-17/h1-8,14H,9-12,15H2,(H,25,26)