4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[(4-fluorophenyl)methyl]butanamide

Systemtic Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[(4-fluorophenyl)methyl]butanamide Openeye Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[(4-fluorophenyl)methyl]butanamide CAS Name: 4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[(4-fluorophenyl)methyl]butanamide IUPAC Name: 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(4-fluorophenyl)methyl]butanamide Traditional Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-fluorobenzyl)butyramide Formula: C16H19FN4O3 MolecularWeight: 334.345463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NCC2=CC=C(C=C2)F)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NCC2=CC=C(C=C2)F)C)[N+](=O)[O-]

InChI

InChI=1S/C16H19FN4O3/c1-11-16(21(23)24)12(2)20(19-11)9-3-4-15(22)18-10-13-5-7-14(17)8-6-13/h5-8H,3-4,9-10H2,1-2H3,(H,18,22)