4-[[2-(4-cyclopropylcarbonylpiperazin-1-yl)ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one

Systemtic Name: 4-[[2-(4-cyclopropylcarbonylpiperazin-1-yl)ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Openeye Name: 4-[[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethylamino]methylene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one CAS Name: 4-[[2-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 4-[[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: 4-[[2-[4-(cyclopropanecarbonyl)piperazino]ethylamino]methylene]-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNCCN2CCN(CC2)C(=O)C3CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=CNCCN2CCN(CC2)C(=O)C3CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H26N6O4/c1-15-19(21(29)26(23-15)17-4-6-18(7-5-17)27(30)31)14-22-8-9-24-10-12-25(13-11-24)20(28)16-2-3-16/h4-7,14,16,22H,2-3,8-13H2,1H3