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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine Openeye Name: 5-(3,4-dimethoxyphenyl)-N-(4-morpholinophenyl)-1H-1,2,4-triazol-3-amine CAS Name: 5-(3,4-dimethoxyphenyl)-N-[4-(4-morpholinyl)phenyl]-1H-1,2,4-triazol-3-amine IUPAC Name: 5-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine Traditional Name: [5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-(4-morpholinophenyl)amine Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=NN2)NC3=CC=C(C=C3)N4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=NN2)NC3=CC=C(C=C3)N4CCOCC4)OC

InChI

InChI=1S/C20H23N5O3/c1-26-17-8-3-14(13-18(17)27-2)19-22-20(24-23-19)21-15-4-6-16(7-5-15)25-9-11-28-12-10-25/h3-8,13H,9-12H2,1-2H3,(H2,21,22,23,24)