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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1C2=CC(=C(C=C2)C#N)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

CCC1CN(CCN1C2=CC(=C(C=C2)C#N)C(F)(F)F)CC3=CC=CC=C3

InChI

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