1-[3-azanyl-5-[2-(4-fluorophenyl)phenyl]-1,2,4-triazol-4-yl]-2-ethyl-butan-1-one

Systemtic Name: 1-[3-azanyl-5-[2-(4-fluorophenyl)phenyl]-1,2,4-triazol-4-yl]-2-ethyl-butan-1-one Openeye Name: 1-[3-amino-5-[2-(4-fluorophenyl)phenyl]-1,2,4-triazol-4-yl]-2-ethyl-butan-1-one CAS Name: 1-[3-amino-5-[2-(4-fluorophenyl)phenyl]-1,2,4-triazol-4-yl]-2-ethyl-1-butanone IUPAC Name: 1-[3-amino-5-[2-(4-fluorophenyl)phenyl]-1,2,4-triazol-4-yl]-2-ethylbutan-1-one Traditional Name: 1-[3-amino-5-[2-(4-fluorophenyl)phenyl]-1,2,4-triazol-4-yl]-2-ethyl-butan-1-one Formula: C20H21FN4O MolecularWeight: 352.405343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1C(=NN=C1N)C2=CC=CC=C2C3=CC=C(C=C3)F

Isomeric SMILES

CCC(CC)C(=O)N1C(=NN=C1N)C2=CC=CC=C2C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN4O/c1-3-13(4-2)19(26)25-18(23-24-20(25)22)17-8-6-5-7-16(17)14-9-11-15(21)12-10-14/h5-13H,3-4H2,1-2H3,(H2,22,24)