ethyl 3-[(4-bromophenyl)methyl]-1-butyl-5-propan-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-[(4-bromophenyl)methyl]-1-butyl-5-propan-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 3-[(4-bromophenyl)methyl]-1-butyl-5-isopropyl-pyrazole-4-carboxylate CAS Name: 3-[(4-bromophenyl)methyl]-1-butyl-5-propan-2-yl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-bromophenyl)methyl]-1-butyl-5-propan-2-ylpyrazole-4-carboxylate Traditional Name: 3-(4-bromobenzyl)-1-butyl-5-isopropyl-pyrazole-4-carboxylic acid ethyl ester Formula: C20H27BrN2O2 MolecularWeight: 407.34458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27BrN2O2/c1-5-7-12-23-19(14(3)4)18(20(24)25-6-2)17(22-23)13-15-8-10-16(21)11-9-15/h8-11,14H,5-7,12-13H2,1-4H3