2-[[2-(3,5-dimethoxyphenyl)carbonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-(3,5-dimethoxyphenyl)carbonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-(3,5-dimethoxybenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-[(3,5-dimethoxyphenyl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-(3,5-dimethoxybenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-(3,5-dimethoxybenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-quinone Formula: C27H24N2O5 MolecularWeight: 456.48986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CCC3=CC=CC=C3C2CN4C(=O)C5=CC=CC=C5C4=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CCC3=CC=CC=C3C2CN4C(=O)C5=CC=CC=C5C4=O)OC

InChI

InChI=1S/C27H24N2O5/c1-33-19-13-18(14-20(15-19)34-2)25(30)28-12-11-17-7-3-4-8-21(17)24(28)16-29-26(31)22-9-5-6-10-23(22)27(29)32/h3-10,13-15,24H,11-12,16H2,1-2H3