6-[(1S)-1-azanyl-2,2,2-tris(fluoranyl)ethyl]-4-butyl-1,4-benzoxazin-3-one

Systemtic Name: 6-[(1S)-1-azanyl-2,2,2-tris(fluoranyl)ethyl]-4-butyl-1,4-benzoxazin-3-one Openeye Name: 6-[(1S)-1-amino-2,2,2-trifluoro-ethyl]-4-butyl-1,4-benzoxazin-3-one CAS Name: 6-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-butyl-1,4-benzoxazin-3-one IUPAC Name: 6-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-butyl-1,4-benzoxazin-3-one Traditional Name: 6-[(1S)-1-amino-2,2,2-trifluoro-ethyl]-4-butyl-1,4-benzoxazin-3-one Formula: C14H17F3N2O2 MolecularWeight: 302.29219

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)COC2=C1C=C(C=C2)C(C(F)(F)F)N

Isomeric SMILES

CCCCN1C(=O)COC2=C1C=C(C=C2)[C@@H](C(F)(F)F)N

InChI

InChI=1S/C14H17F3N2O2/c1-2-3-6-19-10-7-9(13(18)14(15,16)17)4-5-11(10)21-8-12(19)20/h4-5,7,13H,2-3,6,8,18H2,1H3/t13-/m0/s1