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

Systemtic Name: 3-[(E)-4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]but-2-enyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Openeye Name: 3-[(E)-4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]but-2-enyl]-7,8-dimethoxy-1H-3-benzazepin-2-one CAS Name: 3-[(E)-4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]but-2-enyl]-7,8-dimethoxy-1H-3-benzazepin-2-one IUPAC Name: 3-[(E)-4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]but-2-enyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Traditional Name: 3-[(E)-4-[homoveratryl(methyl)amino]but-2-enyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Formula: C27H34N2O5 MolecularWeight: 466.56926

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)CC=CCN2C=CC3=CC(=C(C=C3CC2=O)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O5/c1-28(14-10-20-8-9-23(31-2)24(16-20)32-3)12-6-7-13-29-15-11-21-17-25(33-4)26(34-5)18-22(21)19-27(29)30/h6-9,11,15-18H,10,12-14,19H2,1-5H3/b7-6+