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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(3-nitrophenyl)-5-thiophen-2-yl-pyrazol-3-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(3-nitrophenyl)-5-(2-thienyl)pyrazol-3-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(3-nitrophenyl)-5-thiophen-2-yl-3-pyrazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)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-piperonylpiperazino)methanone Formula: C26H23N5O5S MolecularWeight: 517.55632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NN4C5=CC(=CC=C5)[N+](=O)[O-])C6=CC=CS6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NN4C5=CC(=CC=C5)[N+](=O)[O-])C6=CC=CS6

InChI

InChI=1S/C26H23N5O5S/c32-26(29-10-8-28(9-11-29)16-18-6-7-23-24(13-18)36-17-35-23)22-15-21(25-5-2-12-37-25)27-30(22)19-3-1-4-20(14-19)31(33)34/h1-7,12-15H,8-11,16-17H2