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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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