3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-7,8-dimethoxy-1,2-dihydro-3-benzazepine-4,5-dione hydrochloride

Systemtic Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-7,8-dimethoxy-1,2-dihydro-3-benzazepine-4,5-dione hydrochloride Openeye Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-7,8-dimethoxy-1,2-dihydro-3-benzazepine-4,5-dione hydrochloride CAS Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-7,8-dimethoxy-1,2-dihydro-3-benzazepine-4,5-dione hydrochloride IUPAC Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-7,8-dimethoxy-1,2-dihydro-3-benzazepine-4,5-dione hydrochloride Traditional Name: 3-[3-[homoveratryl(methyl)amino]propyl]-7,8-dimethoxy-1,2-dihydro-3-benzazepine-4,5-quinone hydrochloride Formula: C26H35ClN2O6 MolecularWeight: 507.0189

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1CCC2=CC(=C(C=C2C(=O)C1=O)OC)OC)CCC3=CC(=C(C=C3)OC)OC.Cl

Isomeric SMILES

CN(CCCN1CCC2=CC(=C(C=C2C(=O)C1=O)OC)OC)CCC3=CC(=C(C=C3)OC)OC.Cl

InChI

InChI=1S/C26H34N2O6.ClH/c1-27(13-9-18-7-8-21(31-2)22(15-18)32-3)11-6-12-28-14-10-19-16-23(33-4)24(34-5)17-20(19)25(29)26(28)30;/h7-8,15-17H,6,9-14H2,1-5H3;1H