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

Systemtic Name: 4-[4-(phenylmethyl)-2-propan-2-yl-piperazin-1-yl]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-(4-benzyl-2-isopropyl-piperazin-1-yl)-2-(trifluoromethyl)benzonitrile CAS Name: 4-[4-(phenylmethyl)-2-propan-2-yl-1-piperazinyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-(4-benzyl-2-propan-2-ylpiperazin-1-yl)-2-(trifluoromethyl)benzonitrile Traditional Name: 4-(4-benzyl-2-isopropyl-piperazino)-2-(trifluoromethyl)benzonitrile Formula: C22H24F3N3 MolecularWeight: 387.44127

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CN(CCN1C2=CC(=C(C=C2)C#N)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1CN(CCN1C2=CC(=C(C=C2)C#N)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C22H24F3N3/c1-16(2)21-15-27(14-17-6-4-3-5-7-17)10-11-28(21)19-9-8-18(13-26)20(12-19)22(23,24)25/h3-9,12,16,21H,10-11,14-15H2,1-2H3