3-[1-(2-benzo[b][1]benzazepin-11-ylethyl)piperidin-4-yl]quinazolin-4-one hydrochloride

Systemtic Name: 3-[1-(2-benzo[b][1]benzazepin-11-ylethyl)piperidin-4-yl]quinazolin-4-one hydrochloride Openeye Name: 3-[1-(2-benzo[b][1]benzazepin-11-ylethyl)-4-piperidyl]quinazolin-4-one hydrochloride CAS Name: 3-[1-[2-(11-benzo[b][1]benzazepinyl)ethyl]-4-piperidinyl]-4-quinazolinone hydrochloride IUPAC Name: 3-[1-(2-benzo[b][1]benzazepin-11-ylethyl)piperidin-4-yl]quinazolin-4-one hydrochloride Traditional Name: 3-[1-(2-benzo[b][1]benzazepin-11-ylethyl)-4-piperidyl]quinazolin-4-one hydrochloride Formula: C29H29ClN4O MolecularWeight: 485.01976

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=NC3=CC=CC=C3C2=O)CCN4C5=CC=CC=C5C=CC6=CC=CC=C64.Cl

Isomeric SMILES

C1CN(CCC1N2C=NC3=CC=CC=C3C2=O)CCN4C5=CC=CC=C5C=CC6=CC=CC=C64.Cl

InChI

InChI=1S/C29H28N4O.ClH/c34-29-25-9-3-4-10-26(25)30-21-33(29)24-15-17-31(18-16-24)19-20-32-27-11-5-1-7-22(27)13-14-23-8-2-6-12-28(23)32;/h1-14,21,24H,15-20H2;1H