4-(4-phenylpiperazin-1-yl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one trihydrochloride

Systemtic Name: 4-(4-phenylpiperazin-1-yl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one trihydrochloride Openeye Name: 4-(4-phenylpiperazin-1-yl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one trihydrochloride CAS Name: 4-(4-phenyl-1-piperazinyl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1-butanone trihydrochloride IUPAC Name: 4-(4-phenylpiperazin-1-yl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one trihydrochloride Traditional Name: 4-(4-phenylpiperazino)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one trihydrochloride Formula: C24H34Cl3N3O MolecularWeight: 486.90526

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC2=C1C=CC(=C2)C(=O)CCCN3CCN(CC3)C4=CC=CC=C4.Cl.Cl.Cl

Isomeric SMILES

C1CNCCC2=C1C=CC(=C2)C(=O)CCCN3CCN(CC3)C4=CC=CC=C4.Cl.Cl.Cl

InChI

InChI=1S/C24H31N3O.3ClH/c28-24(22-9-8-20-10-12-25-13-11-21(20)19-22)7-4-14-26-15-17-27(18-16-26)23-5-2-1-3-6-23;;;/h1-3,5-6,8-9,19,25H,4,7,10-18H2;3*1H