ethyl 3-[(4-bromophenyl)methyl]-5-cyclopropyl-1-propyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-[(4-bromophenyl)methyl]-5-cyclopropyl-1-propyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-[(4-bromophenyl)methyl]-5-cyclopropyl-1-propyl-pyrazole-4-carboxylate CAS Name: 3-[(4-bromophenyl)methyl]-5-cyclopropyl-1-propyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-bromophenyl)methyl]-5-cyclopropyl-1-propylpyrazole-4-carboxylate Traditional Name: 3-(4-bromobenzyl)-5-cyclopropyl-1-propyl-pyrazole-4-carboxylic acid ethyl ester Formula: C19H23BrN2O2 MolecularWeight: 391.30212

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=N1)CC2=CC=C(C=C2)Br)C(=O)OCC)C3CC3

Isomeric SMILES

CCCN1C(=C(C(=N1)CC2=CC=C(C=C2)Br)C(=O)OCC)C3CC3

InChI

InChI=1S/C19H23BrN2O2/c1-3-11-22-18(14-7-8-14)17(19(23)24-4-2)16(21-22)12-13-5-9-15(20)10-6-13/h5-6,9-10,14H,3-4,7-8,11-12H2,1-2H3