3-azanylidene-3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanenitrile

Systemtic Name: 3-azanylidene-3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanenitrile Openeye Name: 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]-3-imino-propanenitrile CAS Name: 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-3-iminopropanenitrile IUPAC Name: 3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-3-iminopropanenitrile Traditional Name: 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]-3-imino-propionitrile Formula: C13H13ClF3N5 MolecularWeight: 331.72403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=N)CC#N

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=N)CC#N

InChI

InChI=1S/C13H13ClF3N5/c14-10-7-9(13(15,16)17)8-20-12(10)22-5-3-21(4-6-22)11(19)1-2-18/h7-8,19H,1,3-6H2