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

Systemtic Name: 5-ethyl-2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]-1-(4-nitrophenyl)pyrazol-3-one Openeye Name: 5-ethyl-2-[3-[4-(4-methyl-2-pyridyl)piperazin-1-yl]propyl]-1-(4-nitrophenyl)pyrazol-3-one CAS Name: 5-ethyl-2-[3-[4-(4-methyl-2-pyridinyl)-1-piperazinyl]propyl]-1-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 5-ethyl-2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]-1-(4-nitrophenyl)pyrazol-3-one Traditional Name: 5-ethyl-2-[3-[4-(4-methyl-2-pyridyl)piperazino]propyl]-1-(4-nitrophenyl)-3-pyrazolin-3-one Formula: C24H30N6O3 MolecularWeight: 450.5334

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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=NC=CC(=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C24H30N6O3/c1-3-20-18-24(31)28(29(20)21-5-7-22(8-6-21)30(32)33)12-4-11-26-13-15-27(16-14-26)23-17-19(2)9-10-25-23/h5-10,17-18H,3-4,11-16H2,1-2H3