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

Systemtic Name: 7,8-dimethoxy-3-[3-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]propyl]-1H-3-benzazepin-2-one Openeye Name: 7,8-dimethoxy-3-[3-[4-(4-nitrobenzoyl)piperazin-1-yl]propyl]-1H-3-benzazepin-2-one CAS Name: 7,8-dimethoxy-3-[3-[4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]propyl]-1H-3-benzazepin-2-one IUPAC Name: 7,8-dimethoxy-3-[3-[4-(4-nitrobenzoyl)piperazin-1-yl]propyl]-1H-3-benzazepin-2-one Traditional Name: 7,8-dimethoxy-3-[3-[4-(4-nitrobenzoyl)piperazino]propyl]-1H-3-benzazepin-2-one Formula: C26H30N4O6 MolecularWeight: 494.5396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=CN(C(=O)CC2=C1)CCCN3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C=CN(C(=O)CC2=C1)CCCN3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C26H30N4O6/c1-35-23-16-20-8-11-28(25(31)18-21(20)17-24(23)36-2)10-3-9-27-12-14-29(15-13-27)26(32)19-4-6-22(7-5-19)30(33)34/h4-8,11,16-17H,3,9-10,12-15,18H2,1-2H3