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

Systemtic Name: 5-methyl-2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]-1-(4-nitrophenyl)pyrazol-3-one Openeye Name: 5-methyl-2-[3-[4-(4-methyl-2-pyridyl)piperazin-1-yl]propyl]-1-(4-nitrophenyl)pyrazol-3-one CAS Name: 5-methyl-2-[3-[4-(4-methyl-2-pyridinyl)-1-piperazinyl]propyl]-1-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 5-methyl-2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]-1-(4-nitrophenyl)pyrazol-3-one Traditional Name: 5-methyl-2-[3-[4-(4-methyl-2-pyridyl)piperazino]propyl]-1-(4-nitrophenyl)-3-pyrazolin-3-one Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2CCN(CC2)CCCN3C(=O)C=C(N3C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC=C1)N2CCN(CC2)CCCN3C(=O)C=C(N3C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H28N6O3/c1-18-8-9-24-22(16-18)26-14-12-25(13-15-26)10-3-11-27-23(30)17-19(2)28(27)20-4-6-21(7-5-20)29(31)32/h4-9,16-17H,3,10-15H2,1-2H3