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

Systemtic Name: 1-[4-[5-(2-chlorophenyl)-2-(3-nitrophenyl)pyrazol-3-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[5-(2-chlorophenyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[5-(2-chlorophenyl)-2-(3-nitrophenyl)-3-pyrazolyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[5-(2-chlorophenyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[5-(2-chlorophenyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperazino]ethanone Formula: C22H20ClN5O4 MolecularWeight: 453.8783

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4Cl

InChI

InChI=1S/C22H20ClN5O4/c1-15(29)25-9-11-26(12-10-25)22(30)21-14-20(18-7-2-3-8-19(18)23)24-27(21)16-5-4-6-17(13-16)28(31)32/h2-8,13-14H,9-12H2,1H3