1-(4-chloranyl-3-nitro-phenyl)-2-[4-(diphenylmethyl)piperazin-1-yl]ethanone dihydrochloride

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)-2-[4-(diphenylmethyl)piperazin-1-yl]ethanone dihydrochloride Openeye Name: 2-(4-benzhydrylpiperazin-1-yl)-1-(4-chloro-3-nitro-phenyl)ethanone dihydrochloride CAS Name: 1-(4-chloro-3-nitrophenyl)-2-[4-(diphenylmethyl)-1-piperazinyl]ethanone dihydrochloride IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)-1-(4-chloro-3-nitrophenyl)ethanone dihydrochloride Traditional Name: 2-(4-benzhydrylpiperazino)-1-(4-chloro-3-nitro-phenyl)ethanone dihydrochloride Formula: C25H26Cl3N3O3 MolecularWeight: 522.85124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C25H24ClN3O3.2ClH/c26-22-12-11-21(17-23(22)29(31)32)24(30)18-27-13-15-28(16-14-27)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20;;/h1-12,17,25H,13-16,18H2;2*1H