N-[2,6-bis(fluoranyl)phenyl]-2-(4-chlorophenyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-[2,6-bis(fluoranyl)phenyl]-2-(4-chlorophenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-(2,6-difluorophenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-(2,6-difluorophenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-(2,6-difluorophenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-(2,6-difluorophenyl)-1-keto-isoquinoline-4-carboxamide Formula: C22H13ClF2N2O2 MolecularWeight: 410.800626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN(C2=O)C3=CC=C(C=C3)Cl)C(=O)NC4=C(C=CC=C4F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN(C2=O)C3=CC=C(C=C3)Cl)C(=O)NC4=C(C=CC=C4F)F

InChI

InChI=1S/C22H13ClF2N2O2/c23-13-8-10-14(11-9-13)27-12-17(15-4-1-2-5-16(15)22(27)29)21(28)26-20-18(24)6-3-7-19(20)25/h1-12H,(H,26,28)