N-(4-bromanyl-2-methyl-phenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-1-keto-6,7-dimethoxy-2-p-phenetyl-isoquinoline-4-carboxamide Formula: C27H25BrN2O5 MolecularWeight: 537.4018

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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)Br)C

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)Br)C

InChI

InChI=1S/C27H25BrN2O5/c1-5-35-19-9-7-18(8-10-19)30-15-22(26(31)29-23-11-6-17(28)12-16(23)2)20-13-24(33-3)25(34-4)14-21(20)27(30)32/h6-15H,5H2,1-4H3,(H,29,31)