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

Systemtic Name: [2-(3-nitrophenyl)-5-thiophen-2-yl-pyrazol-3-yl]-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-[2-(3-nitrophenyl)-5-(2-thienyl)pyrazol-3-yl]methanone CAS Name: [2-(3-nitrophenyl)-5-thiophen-2-yl-3-pyrazolyl]-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-[2-(3-nitrophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanone Traditional Name: (4-benzylpiperidino)-[2-(3-nitrophenyl)-5-(2-thienyl)pyrazol-3-yl]methanone Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC(=NN3C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CS5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC(=NN3C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CS5

InChI

InChI=1S/C26H24N4O3S/c31-26(28-13-11-20(12-14-28)16-19-6-2-1-3-7-19)24-18-23(25-10-5-15-34-25)27-29(24)21-8-4-9-22(17-21)30(32)33/h1-10,15,17-18,20H,11-14,16H2