2-[[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 2-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]methyl]benzonitrile Formula: C18H16ClF3N4 MolecularWeight: 380.79465

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2C#N)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2C#N)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C18H16ClF3N4/c19-16-9-15(18(20,21)22)11-24-17(16)26-7-5-25(6-8-26)12-14-4-2-1-3-13(14)10-23/h1-4,9,11H,5-8,12H2