6-[(1S)-1-azanylethyl]-4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-[(1S)-1-azanylethyl]-4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,4-benzoxazin-3-one Openeye Name: 6-[(1S)-1-aminoethyl]-4-[(2-chloro-6-fluoro-phenyl)methyl]-1,4-benzoxazin-3-one CAS Name: 6-[(1S)-1-aminoethyl]-4-[(2-chloro-6-fluorophenyl)methyl]-1,4-benzoxazin-3-one IUPAC Name: 6-[(1S)-1-aminoethyl]-4-[(2-chloro-6-fluorophenyl)methyl]-1,4-benzoxazin-3-one Traditional Name: 6-[(1S)-1-aminoethyl]-4-(2-chloro-6-fluoro-benzyl)-1,4-benzoxazin-3-one Formula: C17H16ClFN2O2 MolecularWeight: 334.772543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC(=O)N2CC3=C(C=CC=C3Cl)F)N

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCC(=O)N2CC3=C(C=CC=C3Cl)F)N

InChI

InChI=1S/C17H16ClFN2O2/c1-10(20)11-5-6-16-15(7-11)21(17(22)9-23-16)8-12-13(18)3-2-4-14(12)19/h2-7,10H,8-9,20H2,1H3/t10-/m0/s1