N-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]-N'-ethoxy-pentanediamide

Systemtic Name: N-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]-N'-ethoxy-pentanediamide Openeye Name: N-[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]-N'-ethoxy-pentanediamide CAS Name: N-[5-tert-butyl-2-(3-methylphenyl)-3-pyrazolyl]-N'-ethoxypentanediamide IUPAC Name: N-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]-N'-ethoxypentanediamide Traditional Name: N-[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]-N'-ethoxy-glutaramide Formula: C21H30N4O3 MolecularWeight: 386.4879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCONC(=O)CCCC(=O)NC1=CC(=NN1C2=CC=CC(=C2)C)C(C)(C)C

Isomeric SMILES

CCONC(=O)CCCC(=O)NC1=CC(=NN1C2=CC=CC(=C2)C)C(C)(C)C

InChI

InChI=1S/C21H30N4O3/c1-6-28-24-20(27)12-8-11-19(26)22-18-14-17(21(3,4)5)23-25(18)16-10-7-9-15(2)13-16/h7,9-10,13-14H,6,8,11-12H2,1-5H3,(H,22,26)(H,24,27)