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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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