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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine Openeye Name: 5-(1,3-benzodioxol-5-yl)-N-(4-morpholinophenyl)-1H-1,2,4-triazol-3-amine CAS Name: 5-(1,3-benzodioxol-5-yl)-N-[4-(4-morpholinyl)phenyl]-1H-1,2,4-triazol-3-amine IUPAC Name: 5-(1,3-benzodioxol-5-yl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine Traditional Name: [5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]-(4-morpholinophenyl)amine Formula: C19H19N5O3 MolecularWeight: 365.38586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC3=NNC(=N3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC3=NNC(=N3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H19N5O3/c1-6-16-17(27-12-26-16)11-13(1)18-21-19(23-22-18)20-14-2-4-15(5-3-14)24-7-9-25-10-8-24/h1-6,11H,7-10,12H2,(H2,20,21,22,23)