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

Systemtic Name: 2-(4-nitrophenyl)-5-phenyl-4-[[2-[4-(2-phenylethanoyl)piperazin-1-yl]ethylamino]methylidene]pyrazol-3-one Openeye Name: 2-(4-nitrophenyl)-5-phenyl-4-[[2-[4-(2-phenylacetyl)piperazin-1-yl]ethylamino]methylene]pyrazol-3-one CAS Name: 2-(4-nitrophenyl)-4-[[2-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]ethylamino]methylidene]-5-phenyl-3-pyrazolone IUPAC Name: 2-(4-nitrophenyl)-5-phenyl-4-[[2-[4-(2-phenylacetyl)piperazin-1-yl]ethylamino]methylidene]pyrazol-3-one Traditional Name: 2-(4-nitrophenyl)-5-phenyl-4-[[2-[4-(2-phenylacetyl)piperazino]ethylamino]methylene]-2-pyrazolin-3-one Formula: C30H30N6O4 MolecularWeight: 538.597

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCNC=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C(=O)CC5=CC=CC=C5

InChI

InChI=1S/C30H30N6O4/c37-28(21-23-7-3-1-4-8-23)34-19-17-33(18-20-34)16-15-31-22-27-29(24-9-5-2-6-10-24)32-35(30(27)38)25-11-13-26(14-12-25)36(39)40/h1-14,22,31H,15-21H2