1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-piperidin-1-yl-piperidine-4-carboxamide hydrate hydrochloride

Systemtic Name: 1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-piperidin-1-yl-piperidine-4-carboxamide hydrate hydrochloride Openeye Name: 1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-(1-piperidyl)piperidine-4-carboxamide hydrate hydrochloride CAS Name: 1-[3-(11-benzo[b][1]benzazepinyl)propyl]-4-(1-piperidinyl)-4-piperidinecarboxamide hydrate hydrochloride IUPAC Name: 1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide hydrate hydrochloride Traditional Name: 1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-piperidino-isonipecotamide hydrate hydrochloride Formula: C28H39ClN4O2 MolecularWeight: 499.08786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4C=CC5=CC=CC=C53)C(=O)N.O.Cl

Isomeric SMILES

C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4C=CC5=CC=CC=C53)C(=O)N.O.Cl

InChI

InChI=1S/C28H36N4O.ClH.H2O/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32;;/h2-5,9-14H,1,6-8,15-22H2,(H2,29,33);1H;1H2