4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbonyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-isoquinolin-1-one

Systemtic Name: 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbonyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-isoquinolin-1-one Openeye Name: 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-isoquinolin-1-one CAS Name: 4-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-isoquinolinone IUPAC Name: 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolin-1-one Traditional Name: 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-6,7-dimethoxy-2-p-phenetyl-isocarbostyril Formula: C27H30N2O7 MolecularWeight: 494.5363

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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)N4CCC5(CC4)OCCO5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)N4CCC5(CC4)OCCO5

InChI

InChI=1S/C27H30N2O7/c1-4-34-19-7-5-18(6-8-19)29-17-22(20-15-23(32-2)24(33-3)16-21(20)26(29)31)25(30)28-11-9-27(10-12-28)35-13-14-36-27/h5-8,15-17H,4,9-14H2,1-3H3