7-bromanyl-3-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5H-1-benzazepine dihydrochloride

Systemtic Name: 7-bromanyl-3-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5H-1-benzazepine dihydrochloride Openeye Name: 7-bromo-3-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5H-1-benzazepine dihydrochloride CAS Name: 7-bromo-3-(4-chlorophenyl)-2-(4-methyl-1-piperazinyl)-5H-1-benzazepine dihydrochloride IUPAC Name: 7-bromo-3-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5H-1-benzazepine dihydrochloride Traditional Name: 7-bromo-3-(4-chlorophenyl)-2-(4-methylpiperazino)-5H-1-benzazepine dihydrochloride Formula: C21H23BrCl3N3 MolecularWeight: 503.69042

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(CC=C2C4=CC=C(C=C4)Cl)C=C(C=C3)Br.Cl.Cl

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(CC=C2C4=CC=C(C=C4)Cl)C=C(C=C3)Br.Cl.Cl

InChI

InChI=1S/C21H21BrClN3.2ClH/c1-25-10-12-26(13-11-25)21-19(15-2-6-18(23)7-3-15)8-4-16-14-17(22)5-9-20(16)24-21;;/h2-3,5-9,14H,4,10-13H2,1H3;2*1H