1-[8-fluoranyl-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone dihydrochloride

Systemtic Name: 1-[8-fluoranyl-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone dihydrochloride Openeye Name: 1-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone dihydrochloride CAS Name: 1-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-(4-methyl-1-piperazinyl)ethanone dihydrochloride IUPAC Name: 1-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone dihydrochloride Traditional Name: 1-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-(4-methylpiperazino)ethanone dihydrochloride Formula: C23H29Cl2F2N3O MolecularWeight: 472.398666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)N2CCCC(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F.Cl.Cl

Isomeric SMILES

CN1CCN(CC1)CC(=O)N2CCCC(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F.Cl.Cl

InChI

InChI=1S/C23H27F2N3O.2ClH/c1-26-11-13-27(14-12-26)16-23(29)28-10-2-3-20(17-4-6-18(24)7-5-17)21-9-8-19(25)15-22(21)28;;/h4-9,15,20H,2-3,10-14,16H2,1H3;2*1H