2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-methyl-amino]-1-oxidanylidene-isoquinoline-4-carbonitrile

Systemtic Name: 2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-methyl-amino]-1-oxidanylidene-isoquinoline-4-carbonitrile Openeye Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]-methyl-amino]-1-oxo-isoquinoline-4-carbonitrile CAS Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-1-oxo-4-isoquinolinecarbonitrile IUPAC Name: 2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-1-oxoisoquinoline-4-carbonitrile Traditional Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]-methyl-amino]-1-keto-isoquinoline-4-carbonitrile Formula: C17H10ClF3N4O MolecularWeight: 378.73571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C=C(C3=CC=CC=C3C2=O)C#N

Isomeric SMILES

CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C=C(C3=CC=CC=C3C2=O)C#N

InChI

InChI=1S/C17H10ClF3N4O/c1-24(15-14(18)6-11(8-23-15)17(19,20)21)25-9-10(7-22)12-4-2-3-5-13(12)16(25)26/h2-6,8-9H,1H3