2-(4-ethylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]-5H-1-benzazepine dihydrochloride

Systemtic Name: 2-(4-ethylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]-5H-1-benzazepine dihydrochloride Openeye Name: 2-(4-ethylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]-5H-1-benzazepine dihydrochloride CAS Name: 2-(4-ethyl-1-piperazinyl)-3-[4-(trifluoromethyl)phenyl]-5H-1-benzazepine dihydrochloride IUPAC Name: 2-(4-ethylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]-5H-1-benzazepine dihydrochloride Traditional Name: 2-(4-ethylpiperazino)-3-[4-(trifluoromethyl)phenyl]-5H-1-benzazepine dihydrochloride Formula: C23H26Cl2F3N3 MolecularWeight: 472.37385

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=CC=CC=C3CC=C2C4=CC=C(C=C4)C(F)(F)F.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=CC=CC=C3CC=C2C4=CC=C(C=C4)C(F)(F)F.Cl.Cl

InChI

InChI=1S/C23H24F3N3.2ClH/c1-2-28-13-15-29(16-14-28)22-20(12-9-18-5-3-4-6-21(18)27-22)17-7-10-19(11-8-17)23(24,25)26;;/h3-8,10-12H,2,9,13-16H2,1H3;2*1H