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

Systemtic Name: 3-[2-ethyl-3-oxidanylidene-4-(phenylmethyl)piperazin-1-yl]-4-(trifluoromethyl)benzenecarbonitrile Openeye Name: 3-(4-benzyl-2-ethyl-3-oxo-piperazin-1-yl)-4-(trifluoromethyl)benzonitrile CAS Name: 3-[2-ethyl-3-oxo-4-(phenylmethyl)-1-piperazinyl]-4-(trifluoromethyl)benzonitrile IUPAC Name: 3-(4-benzyl-2-ethyl-3-oxopiperazin-1-yl)-4-(trifluoromethyl)benzonitrile Traditional Name: 3-(4-benzyl-2-ethyl-3-keto-piperazino)-4-(trifluoromethyl)benzonitrile Formula: C21H20F3N3O MolecularWeight: 387.39821

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CCN1C2=C(C=CC(=C2)C#N)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

CCC1C(=O)N(CCN1C2=C(C=CC(=C2)C#N)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C21H20F3N3O/c1-2-18-20(28)26(14-15-6-4-3-5-7-15)10-11-27(18)19-12-16(13-25)8-9-17(19)21(22,23)24/h3-9,12,18H,2,10-11,14H2,1H3