7,8-dimethoxy-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1H-3-benzazepin-2-one

Systemtic Name: 7,8-dimethoxy-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1H-3-benzazepin-2-one Openeye Name: 7,8-dimethoxy-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1H-3-benzazepin-2-one CAS Name: 7,8-dimethoxy-3-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-1H-3-benzazepin-2-one IUPAC Name: 7,8-dimethoxy-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1H-3-benzazepin-2-one Traditional Name: 7,8-dimethoxy-3-[3-[4-(4-methoxyphenyl)piperazino]propyl]-1H-3-benzazepin-2-one Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)CCCN3C=CC4=CC(=C(C=C4CC3=O)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CCCN3C=CC4=CC(=C(C=C4CC3=O)OC)OC

InChI

InChI=1S/C26H33N3O4/c1-31-23-7-5-22(6-8-23)28-15-13-27(14-16-28)10-4-11-29-12-9-20-17-24(32-2)25(33-3)18-21(20)19-26(29)30/h5-9,12,17-18H,4,10-11,13-16,19H2,1-3H3