[5-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)pyrazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

Systemtic Name: [5-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)pyrazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone Openeye Name: [5-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)pyrazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone CAS Name: [5-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)-3-pyrazolyl]-[4-(2-fluorophenyl)-1-piperazinyl]methanone IUPAC Name: [5-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)pyrazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone Traditional Name: [5-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)pyrazol-3-yl]-[4-(2-fluorophenyl)piperazino]methanone Formula: C28H26FN5O5 MolecularWeight: 531.534943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F)C5=CC(=CC=C5)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F)C5=CC(=CC=C5)[N+](=O)[O-])OC

InChI

InChI=1S/C28H26FN5O5/c1-38-21-10-11-22(27(17-21)39-2)24-18-26(33(30-24)19-6-5-7-20(16-19)34(36)37)28(35)32-14-12-31(13-15-32)25-9-4-3-8-23(25)29/h3-11,16-18H,12-15H2,1-2H3