1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-2H-isoquinolin-3-one hydrochloride

Systemtic Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-2H-isoquinolin-3-one hydrochloride Openeye Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-2H-isoquinolin-3-one hydrochloride CAS Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-2H-isoquinolin-3-one hydrochloride IUPAC Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-2H-isoquinolin-3-one hydrochloride Traditional Name: 1-(3,4-diethoxybenzyl)-6,7-diethoxy-3-isoquinolone hydrochloride Formula: C24H30ClNO5 MolecularWeight: 447.9517

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC2=C3C=C(C(=CC3=CC(=O)N2)OCC)OCC)OCC.Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC2=C3C=C(C(=CC3=CC(=O)N2)OCC)OCC)OCC.Cl

InChI

InChI=1S/C24H29NO5.ClH/c1-5-27-20-10-9-16(12-21(20)28-6-2)11-19-18-15-23(30-8-4)22(29-7-3)13-17(18)14-24(26)25-19;/h9-10,12-15H,5-8,11H2,1-4H3,(H,25,26);1H