2-(3,4-dimethylphenyl)-N-(5-fluoranyl-2-methyl-phenyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)-N-(5-fluoranyl-2-methyl-phenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-N-(5-fluoro-2-methyl-phenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-N-(5-fluoro-2-methylphenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-N-(5-fluoro-2-methylphenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-N-(5-fluoro-2-methyl-phenyl)-1-keto-isoquinoline-4-carboxamide Formula: C25H21FN2O2 MolecularWeight: 400.444843

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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(=C4)F)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=C(C=CC(=C4)F)C)C

InChI

InChI=1S/C25H21FN2O2/c1-15-9-11-19(12-17(15)3)28-14-22(20-6-4-5-7-21(20)25(28)30)24(29)27-23-13-18(26)10-8-16(23)2/h4-14H,1-3H3,(H,27,29)