3,5-bis[[3-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]methyl]-1H-1,2,4-triazole

Systemtic Name: 3,5-bis[[3-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]methyl]-1H-1,2,4-triazole Openeye Name: 3,5-bis[[3-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]methyl]-1H-1,2,4-triazole CAS Name: 3,5-bis[[3-tert-butyl-5-(1-imidazolylmethyl)phenyl]methyl]-1H-1,2,4-triazole IUPAC Name: 3,5-bis[[3-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]methyl]-1H-1,2,4-triazole Traditional Name: 3,5-bis[3-tert-butyl-5-(imidazol-1-ylmethyl)benzyl]-1H-1,2,4-triazole Formula: C32H39N7 MolecularWeight: 521.69896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CN2C=CN=C2)CC3=NC(=NN3)CC4=CC(=CC(=C4)C(C)(C)C)CN5C=CN=C5

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CN2C=CN=C2)CC3=NC(=NN3)CC4=CC(=CC(=C4)C(C)(C)C)CN5C=CN=C5

InChI

InChI=1S/C32H39N7/c1-31(2,3)27-13-23(11-25(15-27)19-38-9-7-33-21-38)17-29-35-30(37-36-29)18-24-12-26(20-39-10-8-34-22-39)16-28(14-24)32(4,5)6/h7-16,21-22H,17-20H2,1-6H3,(H,35,36,37)