N-(2-cyanoethyl)-4-[6-(2-methylbutan-2-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: N-(2-cyanoethyl)-4-[6-(2-methylbutan-2-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(pyridin-3-ylmethyl)butanamide Openeye Name: N-(2-cyanoethyl)-4-[6-(1,1-dimethylpropyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(3-pyridylmethyl)butanamide CAS Name: N-(2-cyanoethyl)-4-[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]-N-(3-pyridinylmethyl)butanamide IUPAC Name: N-(2-cyanoethyl)-4-[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-(6-tert-amyl-3-keto-1,4-benzoxazin-4-yl)-N-(2-cyanoethyl)-N-(3-pyridylmethyl)butyramide Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N(CCC#N)CC3=CN=CC=C3

Isomeric SMILES

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N(CCC#N)CC3=CN=CC=C3

InChI

InChI=1S/C26H32N4O3/c1-4-26(2,3)21-10-11-23-22(16-21)30(25(32)19-33-23)15-6-9-24(31)29(14-7-12-27)18-20-8-5-13-28-17-20/h5,8,10-11,13,16-17H,4,6-7,9,14-15,18-19H2,1-3H3