1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazino]ethanone Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H21N5O3/c1-12-10-13(2)21(18-12)17-11-15(4-5-16(17)22(24)25)20-8-6-19(7-9-20)14(3)23/h4-5,10-11H,6-9H2,1-3H3