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

Systemtic Name: 2-[6-[(1R)-1-azanylpropyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-butyl-ethanamide Openeye Name: 2-[6-[(1R)-1-aminopropyl]-3-oxo-1,4-benzoxazin-4-yl]-N-butyl-acetamide CAS Name: 2-[6-[(1R)-1-aminopropyl]-3-oxo-1,4-benzoxazin-4-yl]-N-butylacetamide IUPAC Name: 2-[6-[(1R)-1-aminopropyl]-3-oxo-1,4-benzoxazin-4-yl]-N-butylacetamide Traditional Name: 2-[6-[(1R)-1-aminopropyl]-3-keto-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)CN1C(=O)COC2=C1C=C(C=C2)C(CC)N

Isomeric SMILES

CCCCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)[C@@H](CC)N

InChI

InChI=1S/C17H25N3O3/c1-3-5-8-19-16(21)10-20-14-9-12(13(18)4-2)6-7-15(14)23-11-17(20)22/h6-7,9,13H,3-5,8,10-11,18H2,1-2H3,(H,19,21)/t13-/m1/s1