N3-[4-(4-morpholin-4-ylcyclohexyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine

Systemtic Name: N3-[4-(4-morpholin-4-ylcyclohexyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine Openeye Name: N3-[4-(4-morpholinocyclohexyl)phenyl]-1-(2-pyridyl)-1,2,4-triazole-3,5-diamine CAS Name: N3-[4-[4-(4-morpholinyl)cyclohexyl]phenyl]-1-(2-pyridinyl)-1,2,4-triazole-3,5-diamine IUPAC Name: 3-N-[4-(4-morpholin-4-ylcyclohexyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine Traditional Name: [5-amino-1-(2-pyridyl)-1,2,4-triazol-3-yl]-[4-(4-morpholinocyclohexyl)phenyl]amine Formula: C23H29N7O MolecularWeight: 419.52266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=C(C=C2)NC3=NN(C(=N3)N)C4=CC=CC=N4)N5CCOCC5

Isomeric SMILES

C1CC(CCC1C2=CC=C(C=C2)NC3=NN(C(=N3)N)C4=CC=CC=N4)N5CCOCC5

InChI

InChI=1S/C23H29N7O/c24-22-27-23(28-30(22)21-3-1-2-12-25-21)26-19-8-4-17(5-9-19)18-6-10-20(11-7-18)29-13-15-31-16-14-29/h1-5,8-9,12,18,20H,6-7,10-11,13-16H2,(H3,24,26,27,28)