N-(2-cyanoethyl)-N-methyl-2-[(2R)-2-methyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-methyl-2-[(2R)-2-methyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-methyl-2-[(2R)-2-methyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]acetamide CAS Name: N-(2-cyanoethyl)-N-methyl-2-[(2R)-2-methyl-3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-methyl-2-[(2R)-2-methyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[(2R)-3-keto-2-methyl-6-propionyl-1,4-benzoxazin-4-yl]-N-methyl-acetamide Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC(=O)N(C)CCC#N)C

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2CC(=O)N(C)CCC#N)C

InChI

InChI=1S/C18H21N3O4/c1-4-15(22)13-6-7-16-14(10-13)21(18(24)12(2)25-16)11-17(23)20(3)9-5-8-19/h6-7,10,12H,4-5,9,11H2,1-3H3/t12-/m1/s1