2-[(2S)-6-[(1R)-1-azanylpropyl]-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-propyl-ethanamide

Systemtic Name: 2-[(2S)-6-[(1R)-1-azanylpropyl]-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-propyl-ethanamide Openeye Name: 2-[(2S)-6-[(1R)-1-aminopropyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propyl-acetamide CAS Name: 2-[(2S)-6-[(1R)-1-aminopropyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propylacetamide IUPAC Name: 2-[(2S)-6-[(1R)-1-aminopropyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propylacetamide Traditional Name: 2-[(2S)-6-[(1R)-1-aminopropyl]-3-keto-2-methyl-1,4-benzoxazin-4-yl]-N-propyl-acetamide Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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