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

Systemtic Name: 5-ethyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(4-nitrophenyl)pyrazol-3-one Openeye Name: 5-ethyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(4-nitrophenyl)pyrazol-3-one CAS Name: 5-ethyl-2-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-1-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 5-ethyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(4-nitrophenyl)pyrazol-3-one Traditional Name: 5-ethyl-2-[3-[4-(4-fluorophenyl)piperazino]propyl]-1-(4-nitrophenyl)-3-pyrazolin-3-one Formula: C24H28FN5O3 MolecularWeight: 453.509223

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N(N1C2=CC=C(C=C2)[N+](=O)[O-])CCCN3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC(=O)N(N1C2=CC=C(C=C2)[N+](=O)[O-])CCCN3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H28FN5O3/c1-2-20-18-24(31)28(29(20)22-8-10-23(11-9-22)30(32)33)13-3-12-26-14-16-27(17-15-26)21-6-4-19(25)5-7-21/h4-11,18H,2-3,12-17H2,1H3