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

Systemtic Name: 4-[2,5-dimethyl-4-(phenylmethyl)piperazin-1-yl]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-(4-benzyl-2,5-dimethyl-piperazin-1-yl)-2-(trifluoromethyl)benzonitrile CAS Name: 4-[2,5-dimethyl-4-(phenylmethyl)-1-piperazinyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-(4-benzyl-2,5-dimethylpiperazin-1-yl)-2-(trifluoromethyl)benzonitrile Traditional Name: 4-(4-benzyl-2,5-dimethyl-piperazino)-2-(trifluoromethyl)benzonitrile Formula: C21H22F3N3 MolecularWeight: 373.41469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C2=CC(=C(C=C2)C#N)C(F)(F)F)C)CC3=CC=CC=C3

Isomeric SMILES

CC1CN(C(CN1C2=CC(=C(C=C2)C#N)C(F)(F)F)C)CC3=CC=CC=C3

InChI

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