N-[2,6-bis(fluoranyl)phenyl]-2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-[2,6-bis(fluoranyl)phenyl]-2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(2,6-difluorophenyl)-2-(3,4-dimethylphenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(2,6-difluorophenyl)-2-(3,4-dimethylphenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(2,6-difluorophenyl)-2-(3,4-dimethylphenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(2,6-difluorophenyl)-2-(3,4-dimethylphenyl)-1-keto-isoquinoline-4-carboxamide Formula: C24H18F2N2O2 MolecularWeight: 404.408726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=C(C=CC=C4F)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=C(C=CC=C4F)F)C

InChI

InChI=1S/C24H18F2N2O2/c1-14-10-11-16(12-15(14)2)28-13-19(17-6-3-4-7-18(17)24(28)30)23(29)27-22-20(25)8-5-9-21(22)26/h3-13H,1-2H3,(H,27,29)