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

Systemtic Name: 1-[[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinolin-4-yl]methyl]pyrrolidin-2-one Openeye Name: 1-[[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-4-isoquinolyl]methyl]pyrrolidin-2-one CAS Name: 1-[[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-4-isoquinolinyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-4-yl]methyl]pyrrolidin-2-one Traditional Name: 1-[[1-(3,4-diethoxybenzyl)-6,7-diethoxy-4-isoquinolyl]methyl]-2-pyrrolidone Formula: C29H36N2O5 MolecularWeight: 492.60654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC2=NC=C(C3=CC(=C(C=C32)OCC)OCC)CN4CCCC4=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC2=NC=C(C3=CC(=C(C=C32)OCC)OCC)CN4CCCC4=O)OCC

InChI

InChI=1S/C29H36N2O5/c1-5-33-25-12-11-20(15-26(25)34-6-2)14-24-23-17-28(36-8-4)27(35-7-3)16-22(23)21(18-30-24)19-31-13-9-10-29(31)32/h11-12,15-18H,5-10,13-14,19H2,1-4H3