3-(3-fluoranyl-4-phenyl-phenyl)-1-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)butan-2-one

Systemtic Name: 3-(3-fluoranyl-4-phenyl-phenyl)-1-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)butan-2-one Openeye Name: 3-(3-fluoro-4-phenyl-phenyl)-1-(3-morpholino-1H-1,2,4-triazol-5-yl)butan-2-one CAS Name: 3-(3-fluoro-4-phenylphenyl)-1-[3-(4-morpholinyl)-1H-1,2,4-triazol-5-yl]-2-butanone IUPAC Name: 3-(3-fluoro-4-phenylphenyl)-1-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)butan-2-one Traditional Name: 3-(3-fluoro-4-phenyl-phenyl)-1-(3-morpholino-1H-1,2,4-triazol-5-yl)butan-2-one Formula: C22H23FN4O2 MolecularWeight: 394.442023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)CC3=NC(=NN3)N4CCOCC4

Isomeric SMILES

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)CC3=NC(=NN3)N4CCOCC4

InChI

InChI=1S/C22H23FN4O2/c1-15(17-7-8-18(19(23)13-17)16-5-3-2-4-6-16)20(28)14-21-24-22(26-25-21)27-9-11-29-12-10-27/h2-8,13,15H,9-12,14H2,1H3,(H,24,25,26)