N-butyl-2-(2,4-dimethylphenyl)-5-phenyl-pyrazole-3-carboxamide

Systemtic Name: N-butyl-2-(2,4-dimethylphenyl)-5-phenyl-pyrazole-3-carboxamide Openeye Name: N-butyl-2-(2,4-dimethylphenyl)-5-phenyl-pyrazole-3-carboxamide CAS Name: N-butyl-2-(2,4-dimethylphenyl)-5-phenyl-3-pyrazolecarboxamide IUPAC Name: N-butyl-2-(2,4-dimethylphenyl)-5-phenylpyrazole-3-carboxamide Traditional Name: N-butyl-2-(2,4-dimethylphenyl)-5-phenyl-pyrazole-3-carboxamide Formula: C22H25N3O MolecularWeight: 347.4534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=NN1C2=C(C=C(C=C2)C)C)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)C1=CC(=NN1C2=C(C=C(C=C2)C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O/c1-4-5-13-23-22(26)21-15-19(18-9-7-6-8-10-18)24-25(21)20-12-11-16(2)14-17(20)3/h6-12,14-15H,4-5,13H2,1-3H3,(H,23,26)