(4E)-5-methyl-4-[(3-nitro-4-piperidin-1-yl-phenyl)methylidene]-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-5-methyl-4-[(3-nitro-4-piperidin-1-yl-phenyl)methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4E)-5-methyl-4-[[3-nitro-4-(1-piperidyl)phenyl]methylene]-2-phenyl-pyrazol-3-one CAS Name: (4E)-5-methyl-4-[[3-nitro-4-(1-piperidinyl)phenyl]methylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4E)-5-methyl-4-[(3-nitro-4-piperidin-1-ylphenyl)methylidene]-2-phenylpyrazol-3-one Traditional Name: (4E)-5-methyl-4-(3-nitro-4-piperidino-benzylidene)-2-phenyl-2-pyrazolin-3-one Formula: C22H22N4O3 MolecularWeight: 390.43508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3/c1-16-19(22(27)25(23-16)18-8-4-2-5-9-18)14-17-10-11-20(21(15-17)26(28)29)24-12-6-3-7-13-24/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3/b19-14+