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

Systemtic Name: 2-[(2S)-6-[(1S)-1-azanylethyl]-2-ethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-butyl-ethanamide Openeye Name: 2-[(2S)-6-[(1S)-1-aminoethyl]-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-butyl-acetamide CAS Name: 2-[(2S)-6-[(1S)-1-aminoethyl]-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-butylacetamide IUPAC Name: 2-[(2S)-6-[(1S)-1-aminoethyl]-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-butylacetamide Traditional Name: 2-[(2S)-6-[(1S)-1-aminoethyl]-2-ethyl-3-keto-1,4-benzoxazin-4-yl]-N-butyl-acetamide Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-4-6-9-20-17(22)11-21-14-10-13(12(3)19)7-8-16(14)24-15(5-2)18(21)23/h7-8,10,12,15H,4-6,9,11,19H2,1-3H3,(H,20,22)/t12-,15-/m0/s1