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

Systemtic Name: 1-[5-(3-fluorophenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[5-(3-fluorophenyl)-3-isopropoxy-1,2,4-triazol-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[5-(3-fluorophenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-2-phenyl-1-butanone IUPAC Name: 1-[5-(3-fluorophenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[5-(3-fluorophenyl)-3-isopropoxy-1,2,4-triazol-1-yl]-2-phenyl-butan-1-one Formula: C21H22FN3O2 MolecularWeight: 367.416683

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2C(=NC(=N2)OC(C)C)C3=CC(=CC=C3)F

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2C(=NC(=N2)OC(C)C)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H22FN3O2/c1-4-18(15-9-6-5-7-10-15)20(26)25-19(16-11-8-12-17(22)13-16)23-21(24-25)27-14(2)3/h5-14,18H,4H2,1-3H3