3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[4-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-[4-(trifluoromethyl)benzyl]piperazine-1-carbonyl]benzonitrile Formula: C20H18F3N3O MolecularWeight: 373.37163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18F3N3O/c21-20(22,23)18-6-4-15(5-7-18)14-25-8-10-26(11-9-25)19(27)17-3-1-2-16(12-17)13-24/h1-7,12H,8-11,14H2