3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-7,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one

Systemtic Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-7,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one Openeye Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-7,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one CAS Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-7,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one IUPAC Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-7,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one Traditional Name: 3-[3-[homoveratryl(methyl)amino]propyl]-7,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one Formula: C26H36N2O3 MolecularWeight: 424.57564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CC(=O)N(CCC2=C1)CCCN(C)CCC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC1=C(C=C2CC(=O)N(CCC2=C1)CCCN(C)CCC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C26H36N2O3/c1-19-15-22-10-14-28(26(29)18-23(22)16-20(19)2)12-6-11-27(3)13-9-21-7-8-24(30-4)25(17-21)31-5/h7-8,15-17H,6,9-14,18H2,1-5H3