1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-phenyl-piperidine-4-carbonitrile hydrate hydrochloride

Systemtic Name: 1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-phenyl-piperidine-4-carbonitrile hydrate hydrochloride Openeye Name: 1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-phenyl-piperidine-4-carbonitrile hydrate hydrochloride CAS Name: 1-[3-(11-benzo[b][1]benzazepinyl)propyl]-4-phenyl-4-piperidinecarbonitrile hydrate hydrochloride IUPAC Name: 1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-phenylpiperidine-4-carbonitrile hydrate hydrochloride Traditional Name: 1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-phenyl-isonipecotonitrile hydrate hydrochloride Formula: C29H32ClN3O MolecularWeight: 474.03688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)CCCN3C4=CC=CC=C4C=CC5=CC=CC=C53.O.Cl

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)CCCN3C4=CC=CC=C4C=CC5=CC=CC=C53.O.Cl

InChI

InChI=1S/C29H29N3.ClH.H2O/c30-23-29(26-11-2-1-3-12-26)17-21-31(22-18-29)19-8-20-32-27-13-6-4-9-24(27)15-16-25-10-5-7-14-28(25)32;;/h1-7,9-16H,8,17-22H2;1H;1H2