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

Systemtic Name: [2-(3-nitrophenyl)-5-thiophen-2-yl-pyrazol-3-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[2-(3-nitrophenyl)-5-(2-thienyl)pyrazol-3-yl]methanone CAS Name: [2-(3-nitrophenyl)-5-thiophen-2-yl-3-pyrazolyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[2-(3-nitrophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanone Traditional Name: (4-benzylpiperazino)-[2-(3-nitrophenyl)-5-(2-thienyl)pyrazol-3-yl]methanone Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=NN3C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CS5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=NN3C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CS5

InChI

InChI=1S/C25H23N5O3S/c31-25(28-13-11-27(12-14-28)18-19-6-2-1-3-7-19)23-17-22(24-10-5-15-34-24)26-29(23)20-8-4-9-21(16-20)30(32)33/h1-10,15-17H,11-14,18H2