3-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-prop-2-enenitrile

Systemtic Name: 3-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-prop-2-enenitrile Openeye Name: 3-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]prop-2-enenitrile CAS Name: 2-[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-3-phenyl-2-propenenitrile IUPAC Name: 3-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]prop-2-enenitrile Traditional Name: 3-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]acrylonitrile Formula: C21H18F3N3O MolecularWeight: 385.38233

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C(=CC3=CC=CC=C3)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C(=CC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H18F3N3O/c22-21(23,24)18-7-4-8-19(14-18)26-9-11-27(12-10-26)20(28)17(15-25)13-16-5-2-1-3-6-16/h1-8,13-14H,9-12H2