2-[(2S)-6-[(1S)-1-azanylethyl]-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-butyl-ethanamide

Systemtic Name: 2-[(2S)-6-[(1S)-1-azanylethyl]-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-butyl-ethanamide Openeye Name: 2-[(2S)-6-[(1S)-1-aminoethyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-butyl-acetamide CAS Name: 2-[(2S)-6-[(1S)-1-aminoethyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-butylacetamide IUPAC Name: 2-[(2S)-6-[(1S)-1-aminoethyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-butylacetamide Traditional Name: 2-[(2S)-6-[(1S)-1-aminoethyl]-3-keto-2-methyl-1,4-benzoxazin-4-yl]-N-butyl-acetamide Formula: C17H25N3O3 MolecularWeight: 319.3987

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1C2=C(C=CC(=C2)C(C)N)OC(C1=O)C

Isomeric SMILES

CCCCNC(=O)CN1C2=C(C=CC(=C2)[C@H](C)N)O[C@H](C1=O)C

InChI

InChI=1S/C17H25N3O3/c1-4-5-8-19-16(21)10-20-14-9-13(11(2)18)6-7-15(14)23-12(3)17(20)22/h6-7,9,11-12H,4-5,8,10,18H2,1-3H3,(H,19,21)/t11-,12-/m0/s1