[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(4-nitrophenyl)-5-phenyl-3-pyrazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(4-nitrophenyl)-5-phenylpyrazol-3-yl]methanone Traditional Name: [2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl]-(4-piperonylpiperazino)methanone Formula: C28H25N5O5 MolecularWeight: 511.5286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NN4C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NN4C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6

InChI

InChI=1S/C28H25N5O5/c34-28(31-14-12-30(13-15-31)18-20-6-11-26-27(16-20)38-19-37-26)25-17-24(21-4-2-1-3-5-21)29-32(25)22-7-9-23(10-8-22)33(35)36/h1-11,16-17H,12-15,18-19H2