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

Systemtic Name: ethyl 5-[(4-bromophenyl)methyl]-1-butyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-bromophenyl)methyl]-1-butyl-pyrazole-4-carboxylate CAS Name: 5-[(4-bromophenyl)methyl]-1-butyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-bromophenyl)methyl]-1-butylpyrazole-4-carboxylate Traditional Name: 5-(4-bromobenzyl)-1-butyl-pyrazole-4-carboxylic acid ethyl ester Formula: C17H21BrN2O2 MolecularWeight: 365.26484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2O2/c1-3-5-10-20-16(11-13-6-8-14(18)9-7-13)15(12-19-20)17(21)22-4-2/h6-9,12H,3-5,10-11H2,1-2H3