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

Systemtic Name: 5-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine Openeye Name: 5-(3,4-dimethylphenyl)-N-(4-morpholinophenyl)-1H-1,2,4-triazol-3-amine CAS Name: 5-(3,4-dimethylphenyl)-N-[4-(4-morpholinyl)phenyl]-1H-1,2,4-triazol-3-amine IUPAC Name: 5-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine Traditional Name: [5-(3,4-dimethylphenyl)-1H-1,2,4-triazol-3-yl]-(4-morpholinophenyl)amine Formula: C20H23N5O MolecularWeight: 349.42952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC(=NN2)NC3=CC=C(C=C3)N4CCOCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC(=NN2)NC3=CC=C(C=C3)N4CCOCC4)C

InChI

InChI=1S/C20H23N5O/c1-14-3-4-16(13-15(14)2)19-22-20(24-23-19)21-17-5-7-18(8-6-17)25-9-11-26-12-10-25/h3-8,13H,9-12H2,1-2H3,(H2,21,22,23,24)