4-[3-oxidanylidene-4-(phenylmethyl)piperazin-1-yl]-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-[3-oxidanylidene-4-(phenylmethyl)piperazin-1-yl]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-(4-benzyl-3-oxo-piperazin-1-yl)-2-(trifluoromethyl)benzonitrile CAS Name: 4-[3-oxo-4-(phenylmethyl)-1-piperazinyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-(4-benzyl-3-oxopiperazin-1-yl)-2-(trifluoromethyl)benzonitrile Traditional Name: 4-(4-benzyl-3-keto-piperazino)-2-(trifluoromethyl)benzonitrile Formula: C19H16F3N3O MolecularWeight: 359.34505

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C2=CC(=C(C=C2)C#N)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

C1CN(C(=O)CN1C2=CC(=C(C=C2)C#N)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C19H16F3N3O/c20-19(21,22)17-10-16(7-6-15(17)11-23)24-8-9-25(18(26)13-24)12-14-4-2-1-3-5-14/h1-7,10H,8-9,12-13H2