2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-methyl-1-(4-nitrophenyl)pyrazol-3-one

Systemtic Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-methyl-1-(4-nitrophenyl)pyrazol-3-one Openeye Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-methyl-1-(4-nitrophenyl)pyrazol-3-one CAS Name: 2-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-5-methyl-1-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-methyl-1-(4-nitrophenyl)pyrazol-3-one Traditional Name: 2-[3-[4-(4-fluorophenyl)piperazino]propyl]-5-methyl-1-(4-nitrophenyl)-3-pyrazolin-3-one Formula: C23H26FN5O3 MolecularWeight: 439.482643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1C2=CC=C(C=C2)[N+](=O)[O-])CCCN3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=O)N(N1C2=CC=C(C=C2)[N+](=O)[O-])CCCN3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN5O3/c1-18-17-23(30)27(28(18)21-7-9-22(10-8-21)29(31)32)12-2-11-25-13-15-26(16-14-25)20-5-3-19(24)4-6-20/h3-10,17H,2,11-16H2,1H3