1-(2-bromanyl-5-nitro-phenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one dihydrochloride

Systemtic Name: 1-(2-bromanyl-5-nitro-phenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one dihydrochloride Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-(2-bromo-5-nitro-phenyl)propan-1-one dihydrochloride CAS Name: 1-(2-bromo-5-nitrophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1-propanone dihydrochloride IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-(2-bromo-5-nitrophenyl)propan-1-one dihydrochloride Traditional Name: 3-(4-benzylpiperazino)-1-(2-bromo-5-nitro-phenyl)propan-1-one dihydrochloride Formula: C20H24BrCl2N3O3 MolecularWeight: 505.23286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Br)CC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Br)CC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C20H22BrN3O3.2ClH/c21-19-7-6-17(24(26)27)14-18(19)20(25)8-9-22-10-12-23(13-11-22)15-16-4-2-1-3-5-16;;/h1-7,14H,8-13,15H2;2*1H