6-[(2S)-2-chloranylpropanoyl]-4-[3-(dimethylamino)propyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-[(2S)-2-chloranylpropanoyl]-4-[3-(dimethylamino)propyl]-1,4-benzoxazin-3-one Openeye Name: 6-[(2S)-2-chloropropanoyl]-4-[3-(dimethylamino)propyl]-1,4-benzoxazin-3-one CAS Name: 6-[(2S)-2-chloro-1-oxopropyl]-4-[3-(dimethylamino)propyl]-1,4-benzoxazin-3-one IUPAC Name: 6-[(2S)-2-chloropropanoyl]-4-[3-(dimethylamino)propyl]-1,4-benzoxazin-3-one Traditional Name: 6-[(2S)-2-chloropropanoyl]-4-[3-(dimethylamino)propyl]-1,4-benzoxazin-3-one Formula: C16H21ClN2O3 MolecularWeight: 324.80254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2CCCN(C)C)Cl

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)OCC(=O)N2CCCN(C)C)Cl

InChI

InChI=1S/C16H21ClN2O3/c1-11(17)16(21)12-5-6-14-13(9-12)19(15(20)10-22-14)8-4-7-18(2)3/h5-6,9,11H,4,7-8,10H2,1-3H3/t11-/m0/s1