5-(4-tert-butylphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine

Systemtic Name: 5-(4-tert-butylphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine Openeye Name: 5-(4-tert-butylphenyl)-N-(4-morpholinophenyl)-1H-1,2,4-triazol-3-amine CAS Name: 5-(4-tert-butylphenyl)-N-[4-(4-morpholinyl)phenyl]-1H-1,2,4-triazol-3-amine IUPAC Name: 5-(4-tert-butylphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine Traditional Name: [5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-(4-morpholinophenyl)amine Formula: C22H27N5O MolecularWeight: 377.48268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C22H27N5O/c1-22(2,3)17-6-4-16(5-7-17)20-24-21(26-25-20)23-18-8-10-19(11-9-18)27-12-14-28-15-13-27/h4-11H,12-15H2,1-3H3,(H2,23,24,25,26)