N-cyclohexyl-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-cyclohexyl-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-cyclohexyl-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-isoquinoline-4-carboxamide CAS Name: N-cyclohexyl-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-cyclohexyl-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide Traditional Name: N-cyclohexyl-1-keto-6,7-dimethoxy-2-p-phenetyl-isoquinoline-4-carboxamide Formula: C26H30N2O5 MolecularWeight: 450.5268

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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)NC4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)NC4CCCCC4

InChI

InChI=1S/C26H30N2O5/c1-4-33-19-12-10-18(11-13-19)28-16-22(25(29)27-17-8-6-5-7-9-17)20-14-23(31-2)24(32-3)15-21(20)26(28)30/h10-17H,4-9H2,1-3H3,(H,27,29)