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

Systemtic Name: N-(4-morpholin-4-ylphenyl)-5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-amine Openeye Name: N-(4-morpholinophenyl)-5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-amine CAS Name: N-[4-(4-morpholinyl)phenyl]-5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-amine IUPAC Name: N-(4-morpholin-4-ylphenyl)-5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-amine Traditional Name: (4-morpholinophenyl)-[5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-yl]amine Formula: C21H25N5O2 MolecularWeight: 379.4555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC(=NN2)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC(=NN2)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H25N5O2/c1-2-13-28-19-9-3-16(4-10-19)20-23-21(25-24-20)22-17-5-7-18(8-6-17)26-11-14-27-15-12-26/h3-10H,2,11-15H2,1H3,(H2,22,23,24,25)