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1-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propan-1-one
1-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propan-1-one
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC(=NN1CC(C)C(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F)[N+](=O)[O-]
Isomeric SMILES
CC1=CC(=NN1CC(C)C(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F)[N+](=O)[O-]
InChI
InChI=1S/C19H23ClFN5O3/c1-13(11-25-14(2)10-18(22-25)26(28)29)19(27)24-8-6-23(7-9-24)12-15-16(20)4-3-5-17(15)21/h3-5,10,13H,6-9,11-12H2,1-2H3
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