(Z)-but-2-enedioic acid; 1-[3-(2-chloranylbenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-yl-piperidine-4-carboxamide

Systemtic Name: (Z)-but-2-enedioic acid; 1-[3-(2-chloranylbenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-yl-piperidine-4-carboxamide Openeye Name: 1-[3-(2-chlorobenzo[b][1]benzazepin-11-yl)propyl]-4-(1-piperidyl)piperidine-4-carboxamide; maleic acid CAS Name: (Z)-2-butenedioic acid; 1-[3-(2-chloro-11-benzo[b][1]benzazepinyl)propyl]-4-(1-piperidinyl)-4-piperidinecarboxamide IUPAC Name: (Z)-but-2-enedioic acid; 1-[3-(2-chlorobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide Traditional Name: 1-[3-(2-chlorobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidino-isonipecotamide; maleic acid Formula: C32H39ClN4O5 MolecularWeight: 595.12886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4C=CC5=C3C=C(C=C5)Cl)C(=O)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4C=CC5=C3C=C(C=C5)Cl)C(=O)N.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C28H35ClN4O.C4H4O4/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32;5-3(6)1-2-4(7)8/h2-3,7-12,21H,1,4-6,13-20H2,(H2,30,34);1-2H,(H,5,6)(H,7,8)/b;2-1-