1-(4-nitrophenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one dihydrochloride

Systemtic Name: 1-(4-nitrophenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one dihydrochloride Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-(4-nitrophenyl)propan-1-one dihydrochloride CAS Name: 1-(4-nitrophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1-propanone dihydrochloride IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-(4-nitrophenyl)propan-1-one dihydrochloride Traditional Name: 3-(4-benzylpiperazino)-1-(4-nitrophenyl)propan-1-one dihydrochloride Formula: C20H25Cl2N3O3 MolecularWeight: 426.3368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3.2ClH/c24-20(18-6-8-19(9-7-18)23(25)26)10-11-21-12-14-22(15-13-21)16-17-4-2-1-3-5-17;;/h1-9H,10-16H2;2*1H