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

Systemtic Name: 2-(4-nitrophenyl)-5-phenyl-4-[[2-(4-propanoylpiperazin-1-yl)ethylamino]methylidene]pyrazol-3-one Openeye Name: 2-(4-nitrophenyl)-5-phenyl-4-[[2-(4-propanoylpiperazin-1-yl)ethylamino]methylene]pyrazol-3-one CAS Name: 2-(4-nitrophenyl)-4-[[2-[4-(1-oxopropyl)-1-piperazinyl]ethylamino]methylidene]-5-phenyl-3-pyrazolone IUPAC Name: 2-(4-nitrophenyl)-5-phenyl-4-[[2-(4-propanoylpiperazin-1-yl)ethylamino]methylidene]pyrazol-3-one Traditional Name: 2-(4-nitrophenyl)-5-phenyl-4-[[2-(4-propionylpiperazino)ethylamino]methylene]-2-pyrazolin-3-one Formula: C25H28N6O4 MolecularWeight: 476.52762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)CCNC=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCC(=O)N1CCN(CC1)CCNC=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H28N6O4/c1-2-23(32)29-16-14-28(15-17-29)13-12-26-18-22-24(19-6-4-3-5-7-19)27-30(25(22)33)20-8-10-21(11-9-20)31(34)35/h3-11,18,26H,2,12-17H2,1H3