5-tert-butyl-N-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carboxamide

Systemtic Name: 5-tert-butyl-N-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carboxamide Openeye Name: 5-tert-butyl-N-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carboxamide CAS Name: 5-tert-butyl-N-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carboxamide IUPAC Name: 5-tert-butyl-N-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carboxamide Traditional Name: 3-tert-butyl-N-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-2-pyrazoline-1-carboxamide Formula: C16H19ClN6O MolecularWeight: 346.81466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(CC1N2C=NC=N2)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=NN(CC1N2C=NC=N2)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H19ClN6O/c1-16(2,3)14-13(23-10-18-9-19-23)8-22(21-14)15(24)20-12-6-4-11(17)5-7-12/h4-7,9-10,13H,8H2,1-3H3,(H,20,24)