[4-(6-nitropyridin-3-yl)piperazin-1-yl]-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]methanone

Systemtic Name: [4-(6-nitropyridin-3-yl)piperazin-1-yl]-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]methanone Openeye Name: [1-benzyl-3-(2-thienyl)pyrazol-4-yl]-[4-(6-nitro-3-pyridyl)piperazin-1-yl]methanone CAS Name: [4-(6-nitro-3-pyridinyl)-1-piperazinyl]-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methanone IUPAC Name: (1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Traditional Name: [1-benzyl-3-(2-thienyl)pyrazol-4-yl]-[4-(6-nitro-3-pyridyl)piperazino]methanone Formula: C24H22N6O3S MolecularWeight: 474.53488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C24H22N6O3S/c31-24(28-12-10-27(11-13-28)19-8-9-22(25-15-19)30(32)33)20-17-29(16-18-5-2-1-3-6-18)26-23(20)21-7-4-14-34-21/h1-9,14-15,17H,10-13,16H2