4-[4-(4-fluorophenyl)carbonyl-2,5-dimethyl-piperazin-1-yl]-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-[4-(4-fluorophenyl)carbonyl-2,5-dimethyl-piperazin-1-yl]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-[4-(4-fluorobenzoyl)-2,5-dimethyl-piperazin-1-yl]-2-(trifluoromethyl)benzonitrile CAS Name: 4-[4-[(4-fluorophenyl)-oxomethyl]-2,5-dimethyl-1-piperazinyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-[4-(4-fluorobenzoyl)-2,5-dimethylpiperazin-1-yl]-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[4-(4-fluorobenzoyl)-2,5-dimethyl-piperazino]-2-(trifluoromethyl)benzonitrile Formula: C21H19F4N3O MolecularWeight: 405.388673

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)C2=CC=C(C=C2)F)C)C3=CC(=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

CC1CN(C(CN1C(=O)C2=CC=C(C=C2)F)C)C3=CC(=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C21H19F4N3O/c1-13-12-28(20(29)15-3-6-17(22)7-4-15)14(2)11-27(13)18-8-5-16(10-26)19(9-18)21(23,24)25/h3-9,13-14H,11-12H2,1-2H3