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

Systemtic Name: N-(4-morpholin-4-ylphenyl)-5-(3-propoxyphenyl)-1H-1,2,4-triazol-3-amine Openeye Name: N-(4-morpholinophenyl)-5-(3-propoxyphenyl)-1H-1,2,4-triazol-3-amine CAS Name: N-[4-(4-morpholinyl)phenyl]-5-(3-propoxyphenyl)-1H-1,2,4-triazol-3-amine IUPAC Name: N-(4-morpholin-4-ylphenyl)-5-(3-propoxyphenyl)-1H-1,2,4-triazol-3-amine Traditional Name: (4-morpholinophenyl)-[5-(3-propoxyphenyl)-1H-1,2,4-triazol-3-yl]amine Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=NC(=NN2)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=NC(=NN2)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H25N5O2/c1-2-12-28-19-5-3-4-16(15-19)20-23-21(25-24-20)22-17-6-8-18(9-7-17)26-10-13-27-14-11-26/h3-9,15H,2,10-14H2,1H3,(H2,22,23,24,25)