methyl 2-(5-bromanyl-2-fluoranyl-phenyl)-4-phenyl-4-prop-2-enyl-3H-pyrazole-5-carboxylate

Systemtic Name: methyl 2-(5-bromanyl-2-fluoranyl-phenyl)-4-phenyl-4-prop-2-enyl-3H-pyrazole-5-carboxylate Openeye Name: methyl 4-allyl-2-(5-bromo-2-fluoro-phenyl)-4-phenyl-3H-pyrazole-5-carboxylate CAS Name: 2-(5-bromo-2-fluorophenyl)-4-phenyl-4-prop-2-enyl-3H-pyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(5-bromo-2-fluorophenyl)-4-phenyl-4-prop-2-enyl-3H-pyrazole-5-carboxylate Traditional Name: 4-allyl-1-(5-bromo-2-fluoro-phenyl)-4-phenyl-2-pyrazoline-3-carboxylic acid methyl ester Formula: C20H18BrFN2O2 MolecularWeight: 417.271523

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(CC1(CC=C)C2=CC=CC=C2)C3=C(C=CC(=C3)Br)F

Isomeric SMILES

COC(=O)C1=NN(CC1(CC=C)C2=CC=CC=C2)C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C20H18BrFN2O2/c1-3-11-20(14-7-5-4-6-8-14)13-24(23-18(20)19(25)26-2)17-12-15(21)9-10-16(17)22/h3-10,12H,1,11,13H2,2H3