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

Systemtic Name: 7,8-dimethoxy-3-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-1H-3-benzazepin-2-one Openeye Name: 7,8-dimethoxy-3-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-1H-3-benzazepin-2-one CAS Name: 7,8-dimethoxy-3-[3-[4-(3-methoxyphenyl)-1-piperazinyl]propyl]-1H-3-benzazepin-2-one IUPAC Name: 7,8-dimethoxy-3-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-1H-3-benzazepin-2-one Traditional Name: 7,8-dimethoxy-3-[3-[4-(3-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=CC(=C1)N2CCN(CC2)CCCN3C=CC4=CC(=C(C=C4CC3=O)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O4/c1-31-23-7-4-6-22(19-23)28-14-12-27(13-15-28)9-5-10-29-11-8-20-16-24(32-2)25(33-3)17-21(20)18-26(29)30/h4,6-8,11,16-17,19H,5,9-10,12-15,18H2,1-3H3