2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]isonicotinonitrile Formula: C16H13ClF3N5 MolecularWeight: 367.75613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=C2)C#N)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=C2)C#N)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C16H13ClF3N5/c17-13-8-12(16(18,19)20)10-23-15(13)25-5-3-24(4-6-25)14-7-11(9-21)1-2-22-14/h1-2,7-8,10H,3-6H2