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

Systemtic Name: 5-(3,5-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine Openeye Name: 5-(3,5-dimethylphenyl)-N-(4-morpholinophenyl)-1H-1,2,4-triazol-3-amine CAS Name: 5-(3,5-dimethylphenyl)-N-[4-(4-morpholinyl)phenyl]-1H-1,2,4-triazol-3-amine IUPAC Name: 5-(3,5-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine Traditional Name: [5-(3,5-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=CC(=CC(=C1)C2=NC(=NN2)NC3=CC=C(C=C3)N4CCOCC4)C

Isomeric SMILES

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

InChI

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