1-[4-[1-(4-nitrophenyl)-5-phenyl-pyrazol-4-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[1-(4-nitrophenyl)-5-phenyl-pyrazol-4-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[1-(4-nitrophenyl)-5-phenyl-pyrazole-4-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[1-(4-nitrophenyl)-5-phenyl-4-pyrazolyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[1-(4-nitrophenyl)-5-phenylpyrazole-4-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[1-(4-nitrophenyl)-5-phenyl-pyrazole-4-carbonyl]piperazino]ethanone Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O4/c1-16(28)24-11-13-25(14-12-24)22(29)20-15-23-26(21(20)17-5-3-2-4-6-17)18-7-9-19(10-8-18)27(30)31/h2-10,15H,11-14H2,1H3