3-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-1-(4-nitrophenyl)propan-1-one dihydrochloride

Systemtic Name: 3-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-1-(4-nitrophenyl)propan-1-one dihydrochloride Openeye Name: 3-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-nitrophenyl)propan-1-one dihydrochloride CAS Name: 3-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-1-(4-nitrophenyl)-1-propanone dihydrochloride IUPAC Name: 3-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-nitrophenyl)propan-1-one dihydrochloride Traditional Name: 3-[4-(4-fluorobenzoyl)piperazino]-1-(4-nitrophenyl)propan-1-one dihydrochloride Formula: C20H22Cl2FN3O4 MolecularWeight: 458.310783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O4.2ClH/c21-17-5-1-16(2-6-17)20(26)23-13-11-22(12-14-23)10-9-19(25)15-3-7-18(8-4-15)24(27)28;;/h1-8H,9-14H2;2*1H