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

Systemtic Name: 5-tert-butyl-N,3-bis(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carboxamide Openeye Name: 5-tert-butyl-N,3-bis(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carboxamide CAS Name: 5-tert-butyl-N,3-bis(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carboxamide IUPAC Name: 5-tert-butyl-N,3-bis(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carboxamide Traditional Name: 3-tert-butyl-N,5-bis(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-2-pyrazoline-1-carboxamide Formula: C22H22Cl2N6O MolecularWeight: 457.35568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(C1N2C=NC=N2)C3=CC=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(C1N2C=NC=N2)C3=CC=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22Cl2N6O/c1-22(2,3)20-19(29-13-25-12-26-29)18(14-4-6-15(23)7-5-14)30(28-20)21(31)27-17-10-8-16(24)9-11-17/h4-13,18-19H,1-3H3,(H,27,31)