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

Systemtic Name: 2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-methyl-amino]-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]-methyl-amino]-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-1-oxoisoquinoline-4-carboxamide Traditional Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]-methyl-amino]-1-keto-isoquinoline-4-carboxamide Formula: C17H12ClF3N4O2 MolecularWeight: 396.75099

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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(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClF3N4O2/c1-24(15-13(18)6-9(7-23-15)17(19,20)21)25-8-12(14(22)26)10-4-2-3-5-11(10)16(25)27/h2-8H,1H3,(H2,22,26)