3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one

Systemtic Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Openeye Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one CAS Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one IUPAC Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Traditional Name: 3-[3-(homoveratrylamino)propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Formula: C25H32N2O5 MolecularWeight: 440.53198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCCCN2C=CC3=CC(=C(C=C3CC2=O)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCCCN2C=CC3=CC(=C(C=C3CC2=O)OC)OC)OC

InChI

InChI=1S/C25H32N2O5/c1-29-21-7-6-18(14-22(21)30-2)8-11-26-10-5-12-27-13-9-19-15-23(31-3)24(32-4)16-20(19)17-25(27)28/h6-7,9,13-16,26H,5,8,10-12,17H2,1-4H3