5-(4-fluorophenyl)-2,2-dimethyl-3-oxidanyl-3-(1,2,4-triazol-1-ylmethyl)pentanal

Systemtic Name: 5-(4-fluorophenyl)-2,2-dimethyl-3-oxidanyl-3-(1,2,4-triazol-1-ylmethyl)pentanal Openeye Name: 5-(4-fluorophenyl)-3-hydroxy-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentanal CAS Name: 5-(4-fluorophenyl)-3-hydroxy-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentanal IUPAC Name: 5-(4-fluorophenyl)-3-hydroxy-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentanal Traditional Name: 5-(4-fluorophenyl)-3-hydroxy-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)valeraldehyde Formula: C16H20FN3O2 MolecularWeight: 305.347303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=O)C(CCC1=CC=C(C=C1)F)(CN2C=NC=N2)O

Isomeric SMILES

CC(C)(C=O)C(CCC1=CC=C(C=C1)F)(CN2C=NC=N2)O

InChI

InChI=1S/C16H20FN3O2/c1-15(2,10-21)16(22,9-20-12-18-11-19-20)8-7-13-3-5-14(17)6-4-13/h3-6,10-12,22H,7-9H2,1-2H3