5-(4-bromophenyl)-4-butyl-N-(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-4-butyl-N-(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide Openeye Name: 5-(4-bromophenyl)-4-butyl-N-(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide CAS Name: 5-(4-bromophenyl)-4-butyl-N-(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide IUPAC Name: 5-(4-bromophenyl)-4-butyl-N-(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide Traditional Name: 3-(4-bromophenyl)-4-butyl-N-(4-chlorophenyl)-4-methyl-2-pyrazoline-1-carboxamide Formula: C21H23BrClN3O MolecularWeight: 448.78382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CN(N=C1C2=CC=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCCCC1(CN(N=C1C2=CC=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H23BrClN3O/c1-3-4-13-21(2)14-26(20(27)24-18-11-9-17(23)10-12-18)25-19(21)15-5-7-16(22)8-6-15/h5-12H,3-4,13-14H2,1-2H3,(H,24,27)