1-[4-[5-(5-methylfuran-2-yl)-2-(3-nitrophenyl)pyrazol-3-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[5-(5-methylfuran-2-yl)-2-(3-nitrophenyl)pyrazol-3-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[5-(5-methyl-2-furyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[5-(5-methyl-2-furanyl)-2-(3-nitrophenyl)-3-pyrazolyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[5-(5-methylfuran-2-yl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[5-(5-methyl-2-furyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperazino]ethanone Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C(=C2)C(=O)N3CCN(CC3)C(=O)C)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C(=C2)C(=O)N3CCN(CC3)C(=O)C)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5/c1-14-6-7-20(31-14)18-13-19(21(28)24-10-8-23(9-11-24)15(2)27)25(22-18)16-4-3-5-17(12-16)26(29)30/h3-7,12-13H,8-11H2,1-2H3