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

Systemtic Name: 3-[3-[2-(4-butoxyphenyl)ethyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Openeye Name: 3-[3-[2-(4-butoxyphenyl)ethyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one CAS Name: 3-[3-[2-(4-butoxyphenyl)ethyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one IUPAC Name: 3-[3-[2-(4-butoxyphenyl)ethyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Traditional Name: 3-[3-[2-(4-butoxyphenyl)ethyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Formula: C28H40N2O4 MolecularWeight: 468.6282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CCN(C)CCCN2CCC3=CC(=C(C=C3CC2=O)OC)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CCN(C)CCCN2CCC3=CC(=C(C=C3CC2=O)OC)OC

InChI

InChI=1S/C28H40N2O4/c1-5-6-18-34-25-10-8-22(9-11-25)12-16-29(2)14-7-15-30-17-13-23-19-26(32-3)27(33-4)20-24(23)21-28(30)31/h8-11,19-20H,5-7,12-18,21H2,1-4H3