[4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(3-nitrophenyl)-5-thiophen-2-yl-pyrazol-3-yl]methanone

Systemtic Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(3-nitrophenyl)-5-thiophen-2-yl-pyrazol-3-yl]methanone Openeye Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(3-nitrophenyl)-5-(2-thienyl)pyrazol-3-yl]methanone CAS Name: [4-(2-ethoxyphenyl)-1-piperazinyl]-[2-(3-nitrophenyl)-5-thiophen-2-yl-3-pyrazolyl]methanone IUPAC Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(3-nitrophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanone Traditional Name: [2-(3-nitrophenyl)-5-(2-thienyl)pyrazol-3-yl]-(4-o-phenetylpiperazino)methanone Formula: C26H25N5O4S MolecularWeight: 503.5728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=NN3C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CS5

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=NN3C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CS5

InChI

InChI=1S/C26H25N5O4S/c1-2-35-24-10-4-3-9-22(24)28-12-14-29(15-13-28)26(32)23-18-21(25-11-6-16-36-25)27-30(23)19-7-5-8-20(17-19)31(33)34/h3-11,16-18H,2,12-15H2,1H3