N-(3-chloranyl-4-fluoranyl-phenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-1-keto-6,7-dimethoxy-2-p-phenetyl-isoquinoline-4-carboxamide Formula: C26H22ClFN2O5 MolecularWeight: 496.914683

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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=CC(=C(C=C4)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H22ClFN2O5/c1-4-35-17-8-6-16(7-9-17)30-14-20(25(31)29-15-5-10-22(28)21(27)11-15)18-12-23(33-2)24(34-3)13-19(18)26(30)32/h5-14H,4H2,1-3H3,(H,29,31)