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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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