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

Systemtic Name: 5-methyl-2-(4-nitrophenyl)-4-[[2-[4-(2-phenylethanoyl)piperazin-1-yl]ethylamino]methylidene]pyrazol-3-one Openeye Name: 5-methyl-2-(4-nitrophenyl)-4-[[2-[4-(2-phenylacetyl)piperazin-1-yl]ethylamino]methylene]pyrazol-3-one CAS Name: 5-methyl-2-(4-nitrophenyl)-4-[[2-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]ethylamino]methylidene]-3-pyrazolone IUPAC Name: 5-methyl-2-(4-nitrophenyl)-4-[[2-[4-(2-phenylacetyl)piperazin-1-yl]ethylamino]methylidene]pyrazol-3-one Traditional Name: 5-methyl-2-(4-nitrophenyl)-4-[[2-[4-(2-phenylacetyl)piperazino]ethylamino]methylene]-2-pyrazolin-3-one Formula: C25H28N6O4 MolecularWeight: 476.52762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNCCN2CCN(CC2)C(=O)CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=CNCCN2CCN(CC2)C(=O)CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N6O4/c1-19-23(25(33)30(27-19)21-7-9-22(10-8-21)31(34)35)18-26-11-12-28-13-15-29(16-14-28)24(32)17-20-5-3-2-4-6-20/h2-10,18,26H,11-17H2,1H3