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

Systemtic Name: 7,8-dimethoxy-3-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-1H-3-benzazepin-2-one Openeye Name: 3-[3-(4-benzylpiperazin-1-yl)propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one CAS Name: 7,8-dimethoxy-3-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-1H-3-benzazepin-2-one IUPAC Name: 3-[3-(4-benzylpiperazin-1-yl)propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Traditional Name: 3-[3-(4-benzylpiperazino)propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=CN(C(=O)CC2=C1)CCCN3CCN(CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C=CN(C(=O)CC2=C1)CCCN3CCN(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C26H33N3O3/c1-31-24-17-22-9-12-29(26(30)19-23(22)18-25(24)32-2)11-6-10-27-13-15-28(16-14-27)20-21-7-4-3-5-8-21/h3-5,7-9,12,17-18H,6,10-11,13-16,19-20H2,1-2H3