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

Systemtic Name: 7,8-dimethoxy-3-[3-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]propyl]-1H-3-benzazepin-2-one Openeye Name: 7,8-dimethoxy-3-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]propyl]-1H-3-benzazepin-2-one CAS Name: 7,8-dimethoxy-3-[3-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]propyl]-1H-3-benzazepin-2-one IUPAC Name: 7,8-dimethoxy-3-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]propyl]-1H-3-benzazepin-2-one Traditional Name: 7,8-dimethoxy-3-[3-(4-p-anisoylpiperazino)propyl]-1H-3-benzazepin-2-one Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O5/c1-33-23-7-5-20(6-8-23)27(32)30-15-13-28(14-16-30)10-4-11-29-12-9-21-17-24(34-2)25(35-3)18-22(21)19-26(29)31/h5-9,12,17-18H,4,10-11,13-16,19H2,1-3H3