4-(azepan-1-ylcarbonyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-isoquinolin-1-one

Systemtic Name: 4-(azepan-1-ylcarbonyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-isoquinolin-1-one Openeye Name: 4-(azepane-1-carbonyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-isoquinolin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-isoquinolinone IUPAC Name: 4-(azepane-1-carbonyl)-2-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolin-1-one Traditional Name: 4-(azepane-1-carbonyl)-6,7-dimethoxy-2-p-phenetyl-isocarbostyril 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)N4CCCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)N4CCCCCC4

InChI

InChI=1S/C26H30N2O5/c1-4-33-19-11-9-18(10-12-19)28-17-22(25(29)27-13-7-5-6-8-14-27)20-15-23(31-2)24(32-3)16-21(20)26(28)30/h9-12,15-17H,4-8,13-14H2,1-3H3