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

Systemtic Name: 4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]butanamide Openeye Name: 4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]butanamide CAS Name: 4-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]butanamide IUPAC Name: 4-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]butanamide Traditional Name: 4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-[1-(4-fluorobenzyl)-3,5-dimethyl-pyrazol-4-yl]butyramide Formula: C20H22BrFN6O3 MolecularWeight: 493.329483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)F)C)NC(=O)CCCN3C(=C(C(=N3)[N+](=O)[O-])Br)C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)F)C)NC(=O)CCCN3C(=C(C(=N3)[N+](=O)[O-])Br)C

InChI

InChI=1S/C20H22BrFN6O3/c1-12-19(14(3)27(24-12)11-15-6-8-16(22)9-7-15)23-17(29)5-4-10-26-13(2)18(21)20(25-26)28(30)31/h6-9H,4-5,10-11H2,1-3H3,(H,23,29)