3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one

Systemtic Name: 3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Openeye Name: 3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one CAS Name: 3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrolidinyl]methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one IUPAC Name: 3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Traditional Name: 3-[(1-homoveratrylpyrrolidin-3-yl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Formula: C27H34N2O5 MolecularWeight: 466.56926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CCC(C2)CN3C=CC4=CC(=C(C=C4CC3=O)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CCC(C2)CN3C=CC4=CC(=C(C=C4CC3=O)OC)OC)OC

InChI

InChI=1S/C27H34N2O5/c1-31-23-6-5-19(13-24(23)32-2)7-10-28-11-8-20(17-28)18-29-12-9-21-14-25(33-3)26(34-4)15-22(21)16-27(29)30/h5-6,9,12-15,20H,7-8,10-11,16-18H2,1-4H3