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

Systemtic Name: ethyl 3-[(4-bromophenyl)methyl]-5-cyclopropyl-1-ethyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-[(4-bromophenyl)methyl]-5-cyclopropyl-1-ethyl-pyrazole-4-carboxylate CAS Name: 3-[(4-bromophenyl)methyl]-5-cyclopropyl-1-ethyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-bromophenyl)methyl]-5-cyclopropyl-1-ethylpyrazole-4-carboxylate Traditional Name: 3-(4-bromobenzyl)-5-cyclopropyl-1-ethyl-pyrazole-4-carboxylic acid ethyl ester Formula: C18H21BrN2O2 MolecularWeight: 377.27554

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)CC2=CC=C(C=C2)Br)C(=O)OCC)C3CC3

Isomeric SMILES

CCN1C(=C(C(=N1)CC2=CC=C(C=C2)Br)C(=O)OCC)C3CC3

InChI

InChI=1S/C18H21BrN2O2/c1-3-21-17(13-7-8-13)16(18(22)23-4-2)15(20-21)11-12-5-9-14(19)10-6-12/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3