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

Systemtic Name: 5-(3,5-diethoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine Openeye Name: 5-(3,5-diethoxyphenyl)-N-(4-morpholinophenyl)-1H-1,2,4-triazol-3-amine CAS Name: 5-(3,5-diethoxyphenyl)-N-[4-(4-morpholinyl)phenyl]-1H-1,2,4-triazol-3-amine IUPAC Name: 5-(3,5-diethoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine Traditional Name: [5-(3,5-diethoxyphenyl)-1H-1,2,4-triazol-3-yl]-(4-morpholinophenyl)amine Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C2=NC(=NN2)NC3=CC=C(C=C3)N4CCOCC4)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C2=NC(=NN2)NC3=CC=C(C=C3)N4CCOCC4)OCC

InChI

InChI=1S/C22H27N5O3/c1-3-29-19-13-16(14-20(15-19)30-4-2)21-24-22(26-25-21)23-17-5-7-18(8-6-17)27-9-11-28-12-10-27/h5-8,13-15H,3-4,9-12H2,1-2H3,(H2,23,24,25,26)