N-(3-methoxyphenyl)-5-[2-(3-morpholin-4-ylpropylamino)phenyl]-1H-1,2,4-triazol-3-amine

Systemtic Name: N-(3-methoxyphenyl)-5-[2-(3-morpholin-4-ylpropylamino)phenyl]-1H-1,2,4-triazol-3-amine Openeye Name: N-(3-methoxyphenyl)-5-[2-(3-morpholinopropylamino)phenyl]-1H-1,2,4-triazol-3-amine CAS Name: N-(3-methoxyphenyl)-5-[2-[3-(4-morpholinyl)propylamino]phenyl]-1H-1,2,4-triazol-3-amine IUPAC Name: N-(3-methoxyphenyl)-5-[2-(3-morpholin-4-ylpropylamino)phenyl]-1H-1,2,4-triazol-3-amine Traditional Name: [2-[3-(m-anisidino)-1H-1,2,4-triazol-5-yl]phenyl]-(3-morpholinopropyl)amine Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NNC(=N2)C3=CC=CC=C3NCCCN4CCOCC4

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NNC(=N2)C3=CC=CC=C3NCCCN4CCOCC4

InChI

InChI=1S/C22H28N6O2/c1-29-18-7-4-6-17(16-18)24-22-25-21(26-27-22)19-8-2-3-9-20(19)23-10-5-11-28-12-14-30-15-13-28/h2-4,6-9,16,23H,5,10-15H2,1H3,(H2,24,25,26,27)