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

Systemtic Name: methyl 3-[(4-bromophenyl)methyl]-1-butyl-5-ethyl-pyrazole-4-carboxylate Openeye Name: methyl 3-[(4-bromophenyl)methyl]-1-butyl-5-ethyl-pyrazole-4-carboxylate CAS Name: 3-[(4-bromophenyl)methyl]-1-butyl-5-ethyl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-bromophenyl)methyl]-1-butyl-5-ethylpyrazole-4-carboxylate Traditional Name: 3-(4-bromobenzyl)-1-butyl-5-ethyl-pyrazole-4-carboxylic acid methyl ester Formula: C18H23BrN2O2 MolecularWeight: 379.29142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)CC2=CC=C(C=C2)Br)C(=O)OC)CC

Isomeric SMILES

CCCCN1C(=C(C(=N1)CC2=CC=C(C=C2)Br)C(=O)OC)CC

InChI

InChI=1S/C18H23BrN2O2/c1-4-6-11-21-16(5-2)17(18(22)23-3)15(20-21)12-13-7-9-14(19)10-8-13/h7-10H,4-6,11-12H2,1-3H3