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

Systemtic Name: (4Z)-5-methyl-2-(4-nitrophenyl)-4-[[2-(4-propanoylpiperazin-1-yl)ethylamino]methylidene]pyrazol-3-one Openeye Name: (4Z)-5-methyl-2-(4-nitrophenyl)-4-[[2-(4-propanoylpiperazin-1-yl)ethylamino]methylene]pyrazol-3-one CAS Name: (4Z)-5-methyl-2-(4-nitrophenyl)-4-[[2-[4-(1-oxopropyl)-1-piperazinyl]ethylamino]methylidene]-3-pyrazolone IUPAC Name: (4Z)-5-methyl-2-(4-nitrophenyl)-4-[[2-(4-propanoylpiperazin-1-yl)ethylamino]methylidene]pyrazol-3-one Traditional Name: (4Z)-5-methyl-2-(4-nitrophenyl)-4-[[2-(4-propionylpiperazino)ethylamino]methylene]-2-pyrazolin-3-one Formula: C20H26N6O4 MolecularWeight: 414.45824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=O)N1CCN(CC1)CCN/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H26N6O4/c1-3-19(27)24-12-10-23(11-13-24)9-8-21-14-18-15(2)22-25(20(18)28)16-4-6-17(7-5-16)26(29)30/h4-7,14,21H,3,8-13H2,1-2H3/b18-14-