N-[2,4-bis(fluoranyl)phenyl]-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(2,4-difluorophenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(2,4-difluorophenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(2,4-difluorophenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(2,4-difluorophenyl)-1-keto-6,7-dimethoxy-2-p-phenetyl-isoquinoline-4-carboxamide Formula: C26H22F2N2O5 MolecularWeight: 480.460086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)NC4=C(C=C(C=C4)F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)NC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C26H22F2N2O5/c1-4-35-17-8-6-16(7-9-17)30-14-20(25(31)29-22-10-5-15(27)11-21(22)28)18-12-23(33-2)24(34-3)13-19(18)26(30)32/h5-14H,4H2,1-3H3,(H,29,31)