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

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

Isomeric SMILES

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

InChI

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