2-[2,4-bis(fluoranyl)phenyl]-N-(5-chloranylpyridin-2-yl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]-N-(5-chloranylpyridin-2-yl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(5-chloro-2-pyridyl)-2-(2,4-difluorophenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(5-chloro-2-pyridinyl)-2-(2,4-difluorophenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-(2,4-difluorophenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(5-chloro-2-pyridyl)-2-(2,4-difluorophenyl)-1-keto-isoquinoline-4-carboxamide Formula: C21H12ClF2N3O2 MolecularWeight: 411.788686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN(C2=O)C3=C(C=C(C=C3)F)F)C(=O)NC4=NC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN(C2=O)C3=C(C=C(C=C3)F)F)C(=O)NC4=NC=C(C=C4)Cl

InChI

InChI=1S/C21H12ClF2N3O2/c22-12-5-8-19(25-10-12)26-20(28)16-11-27(18-7-6-13(23)9-17(18)24)21(29)15-4-2-1-3-14(15)16/h1-11H,(H,25,26,28)