ethyl 3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5-propan-2-yl-1-propyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5-propan-2-yl-1-propyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-[(4-bromo-2-fluoro-phenyl)methyl]-5-isopropyl-1-propyl-pyrazole-4-carboxylate CAS Name: 3-[(4-bromo-2-fluorophenyl)methyl]-5-propan-2-yl-1-propyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-bromo-2-fluorophenyl)methyl]-5-propan-2-yl-1-propylpyrazole-4-carboxylate Traditional Name: 3-(4-bromo-2-fluoro-benzyl)-5-isopropyl-1-propyl-pyrazole-4-carboxylic acid ethyl ester Formula: C19H24BrFN2O2 MolecularWeight: 411.308463

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=N1)CC2=C(C=C(C=C2)Br)F)C(=O)OCC)C(C)C

Isomeric SMILES

CCCN1C(=C(C(=N1)CC2=C(C=C(C=C2)Br)F)C(=O)OCC)C(C)C

InChI

InChI=1S/C19H24BrFN2O2/c1-5-9-23-18(12(3)4)17(19(24)25-6-2)16(22-23)10-13-7-8-14(20)11-15(13)21/h7-8,11-12H,5-6,9-10H2,1-4H3