4-[2,2-dimethyl-4-(phenylmethyl)piperazin-1-yl]-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-[2,2-dimethyl-4-(phenylmethyl)piperazin-1-yl]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-(4-benzyl-2,2-dimethyl-piperazin-1-yl)-2-(trifluoromethyl)benzonitrile CAS Name: 4-[2,2-dimethyl-4-(phenylmethyl)-1-piperazinyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-(4-benzyl-2,2-dimethylpiperazin-1-yl)-2-(trifluoromethyl)benzonitrile Traditional Name: 4-(4-benzyl-2,2-dimethyl-piperazino)-2-(trifluoromethyl)benzonitrile Formula: C21H22F3N3 MolecularWeight: 373.41469

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCN1C2=CC(=C(C=C2)C#N)C(F)(F)F)CC3=CC=CC=C3)C

Isomeric SMILES

CC1(CN(CCN1C2=CC(=C(C=C2)C#N)C(F)(F)F)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H22F3N3/c1-20(2)15-26(14-16-6-4-3-5-7-16)10-11-27(20)18-9-8-17(13-25)19(12-18)21(22,23)24/h3-9,12H,10-11,14-15H2,1-2H3