1-benzo[b][1]benzazepin-11-yl-2-(4-methylpiperazin-1-yl)ethanone; (E)-but-2-enedioic acid

Systemtic Name: 1-benzo[b][1]benzazepin-11-yl-2-(4-methylpiperazin-1-yl)ethanone; (E)-but-2-enedioic acid Openeye Name: 1-benzo[b][1]benzazepin-11-yl-2-(4-methylpiperazin-1-yl)ethanone; fumaric acid CAS Name: 1-(11-benzo[b][1]benzazepinyl)-2-(4-methyl-1-piperazinyl)ethanone; (E)-2-butenedioic acid IUPAC Name: 1-benzo[b][1]benzazepin-11-yl-2-(4-methylpiperazin-1-yl)ethanone; (E)-but-2-enedioic acid Traditional Name: 1-benzo[b][1]benzazepin-11-yl-2-(4-methylpiperazino)ethanone; fumaric acid Formula: C29H31N3O9 MolecularWeight: 565.57114

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C=CC4=CC=CC=C42.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C=CC4=CC=CC=C24.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H23N3O.2C4H4O4/c1-22-12-14-23(15-13-22)16-21(25)24-19-8-4-2-6-17(19)10-11-18-7-3-5-9-20(18)24;2*5-3(6)1-2-4(7)8/h2-11H,12-16H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+