3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(4-fluoranyl-3-nitro-phenyl)propanamide

Systemtic Name: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(4-fluoranyl-3-nitro-phenyl)propanamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propanamide CAS Name: 3-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propionamide Formula: C18H23FN4O3 MolecularWeight: 362.398623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C18H23FN4O3/c1-11(2)10-22-13(4)15(12(3)21-22)6-8-18(24)20-14-5-7-16(19)17(9-14)23(25)26/h5,7,9,11H,6,8,10H2,1-4H3,(H,20,24)