3-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-2,3,4,5-tetrahydro-2-benzazepin-1-one

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-2,3,4,5-tetrahydro-2-benzazepin-1-one Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-2,3,4,5-tetrahydro-2-benzazepin-1-one CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-2,3,4,5-tetrahydro-2-benzazepin-1-one IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-2,3,4,5-tetrahydro-2-benzazepin-1-one Traditional Name: 7,8-dimethoxy-3-veratryl-2,3,4,5-tetrahydro-2-benzazepin-1-one Formula: C21H25NO5 MolecularWeight: 371.4269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2CCC3=CC(=C(C=C3C(=O)N2)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2CCC3=CC(=C(C=C3C(=O)N2)OC)OC)OC

InChI

InChI=1S/C21H25NO5/c1-24-17-8-5-13(10-18(17)25-2)9-15-7-6-14-11-19(26-3)20(27-4)12-16(14)21(23)22-15/h5,8,10-12,15H,6-7,9H2,1-4H3,(H,22,23)