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

Systemtic Name: methyl 3-[(4-bromophenyl)methyl]-5-tert-butyl-1-propyl-pyrazole-4-carboxylate Openeye Name: methyl 3-[(4-bromophenyl)methyl]-5-tert-butyl-1-propyl-pyrazole-4-carboxylate CAS Name: 3-[(4-bromophenyl)methyl]-5-tert-butyl-1-propyl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-bromophenyl)methyl]-5-tert-butyl-1-propylpyrazole-4-carboxylate Traditional Name: 3-(4-bromobenzyl)-5-tert-butyl-1-propyl-pyrazole-4-carboxylic acid methyl ester Formula: C19H25BrN2O2 MolecularWeight: 393.318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=N1)CC2=CC=C(C=C2)Br)C(=O)OC)C(C)(C)C

Isomeric SMILES

CCCN1C(=C(C(=N1)CC2=CC=C(C=C2)Br)C(=O)OC)C(C)(C)C

InChI

InChI=1S/C19H25BrN2O2/c1-6-11-22-17(19(2,3)4)16(18(23)24-5)15(21-22)12-13-7-9-14(20)10-8-13/h7-10H,6,11-12H2,1-5H3