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

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

CC(CN1C=CC2=CC(=C(C=C2CC1=O)OC)OC)(N(C)CCC3=CC(=C(C=C3)OC)OC)O

Isomeric SMILES

CC(CN1C=CC2=CC(=C(C=C2CC1=O)OC)OC)(N(C)CCC3=CC(=C(C=C3)OC)OC)O

InChI

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