3-[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]ethyl]-8-propoxy-1H-3-benzazepin-2-one hydrochloride

Systemtic Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]ethyl]-8-propoxy-1H-3-benzazepin-2-one hydrochloride Openeye Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]ethyl]-8-propoxy-1H-3-benzazepin-2-one hydrochloride CAS Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-8-propoxy-1H-3-benzazepin-2-one hydrochloride IUPAC Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-8-propoxy-1H-3-benzazepin-2-one hydrochloride Traditional Name: 3-[2-[homoveratryl(methyl)amino]ethyl]-8-propoxy-1H-3-benzazepin-2-one hydrochloride Formula: C26H35ClN2O4 MolecularWeight: 475.0201

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)C=CN(C(=O)C2)CCN(C)CCC3=CC(=C(C=C3)OC)OC.Cl

Isomeric SMILES

CCCOC1=CC2=C(C=C1)C=CN(C(=O)C2)CCN(C)CCC3=CC(=C(C=C3)OC)OC.Cl

InChI

InChI=1S/C26H34N2O4.ClH/c1-5-16-32-23-8-7-21-11-13-28(26(29)19-22(21)18-23)15-14-27(2)12-10-20-6-9-24(30-3)25(17-20)31-4;/h6-9,11,13,17-18H,5,10,12,14-16,19H2,1-4H3;1H