4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-ethanoyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-ethanoyl-1,4-benzoxazin-3-one Openeye Name: 6-acetyl-4-[2-(azepan-1-yl)-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: 6-acetyl-4-[2-(1-azepanyl)-2-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-acetyl-4-[2-(azepan-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 6-acetyl-4-[2-(azepan-1-yl)-2-keto-ethyl]-1,4-benzoxazin-3-one Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCCCCC3

InChI

InChI=1S/C18H22N2O4/c1-13(21)14-6-7-16-15(10-14)20(18(23)12-24-16)11-17(22)19-8-4-2-3-5-9-19/h6-7,10H,2-5,8-9,11-12H2,1H3