3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxidanyl-propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one

Systemtic Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxidanyl-propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Openeye Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-hydroxy-propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one CAS Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-hydroxypropyl]-7,8-dimethoxy-1H-3-benzazepin-2-one IUPAC Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-hydroxypropyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Traditional Name: 3-[3-[homoveratryl(methyl)amino]-2-hydroxy-propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Formula: C26H34N2O6 MolecularWeight: 470.55796

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)CC(CN2C=CC3=CC(=C(C=C3CC2=O)OC)OC)O

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)CC(CN2C=CC3=CC(=C(C=C3CC2=O)OC)OC)O

InChI

InChI=1S/C26H34N2O6/c1-27(10-8-18-6-7-22(31-2)23(12-18)32-3)16-21(29)17-28-11-9-19-13-24(33-4)25(34-5)14-20(19)15-26(28)30/h6-7,9,11-14,21,29H,8,10,15-17H2,1-5H3