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

Systemtic Name: [2-(3-nitrophenyl)-5-thiophen-2-yl-pyrazol-3-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone Openeye Name: (4-cinnamylpiperazin-1-yl)-[2-(3-nitrophenyl)-5-(2-thienyl)pyrazol-3-yl]methanone CAS Name: [2-(3-nitrophenyl)-5-thiophen-2-yl-3-pyrazolyl]-[4-(3-phenylprop-2-enyl)-1-piperazinyl]methanone IUPAC Name: [2-(3-nitrophenyl)-5-thiophen-2-ylpyrazol-3-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone Traditional Name: (4-cinnamylpiperazino)-[2-(3-nitrophenyl)-5-(2-thienyl)pyrazol-3-yl]methanone Formula: C27H25N5O3S MolecularWeight: 499.5841

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C(=O)C3=CC(=NN3C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CS5

Isomeric SMILES

C1CN(CCN1CC=CC2=CC=CC=C2)C(=O)C3=CC(=NN3C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CS5

InChI

InChI=1S/C27H25N5O3S/c33-27(30-16-14-29(15-17-30)13-5-9-21-7-2-1-3-8-21)25-20-24(26-12-6-18-36-26)28-31(25)22-10-4-11-23(19-22)32(34)35/h1-12,18-20H,13-17H2