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

Systemtic Name: 5-(4-butoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine Openeye Name: 5-(4-butoxyphenyl)-N-(4-morpholinophenyl)-1H-1,2,4-triazol-3-amine CAS Name: 5-(4-butoxyphenyl)-N-[4-(4-morpholinyl)phenyl]-1H-1,2,4-triazol-3-amine IUPAC Name: 5-(4-butoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine Traditional Name: [5-(4-butoxyphenyl)-1H-1,2,4-triazol-3-yl]-(4-morpholinophenyl)amine Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC(=NN2)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC(=NN2)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C22H27N5O2/c1-2-3-14-29-20-10-4-17(5-11-20)21-24-22(26-25-21)23-18-6-8-19(9-7-18)27-12-15-28-16-13-27/h4-11H,2-3,12-16H2,1H3,(H2,23,24,25,26)