3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-6,7-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one

Systemtic Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-6,7-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Openeye Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-6,7-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one CAS Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-6,7-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one IUPAC Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-6,7-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Traditional Name: 3-[3-[homoveratryl(methyl)amino]propyl]-6,7-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Formula: C26H36N2O5 MolecularWeight: 456.57444

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1CCC2=C(CC1=O)C(=C(C=C2)OC)OC)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(CCCN1CCC2=C(CC1=O)C(=C(C=C2)OC)OC)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H36N2O5/c1-27(15-11-19-7-9-22(30-2)24(17-19)32-4)13-6-14-28-16-12-20-8-10-23(31-3)26(33-5)21(20)18-25(28)29/h7-10,17H,6,11-16,18H2,1-5H3