N-[2-tert-butyl-5-(4-chlorophenyl)-4-cyano-pyrazol-3-yl]-4-methoxy-benzamide

Systemtic Name: N-[2-tert-butyl-5-(4-chlorophenyl)-4-cyano-pyrazol-3-yl]-4-methoxy-benzamide Openeye Name: N-[2-tert-butyl-5-(4-chlorophenyl)-4-cyano-pyrazol-3-yl]-4-methoxy-benzamide CAS Name: N-[2-tert-butyl-5-(4-chlorophenyl)-4-cyano-3-pyrazolyl]-4-methoxybenzamide IUPAC Name: N-[2-tert-butyl-5-(4-chlorophenyl)-4-cyanopyrazol-3-yl]-4-methoxybenzamide Traditional Name: N-[2-tert-butyl-5-(4-chlorophenyl)-4-cyano-pyrazol-3-yl]-4-methoxy-benzamide Formula: C22H21ClN4O2 MolecularWeight: 408.88074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C(=N1)C2=CC=C(C=C2)Cl)C#N)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)N1C(=C(C(=N1)C2=CC=C(C=C2)Cl)C#N)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H21ClN4O2/c1-22(2,3)27-20(25-21(28)15-7-11-17(29-4)12-8-15)18(13-24)19(26-27)14-5-9-16(23)10-6-14/h5-12H,1-4H3,(H,25,28)