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

Systemtic Name: N-(2-cyanoethyl)-4-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)butanamide Openeye Name: N-(2-cyanoethyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-pyridylmethyl)butanamide CAS Name: N-(2-cyanoethyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-pyridinylmethyl)butanamide IUPAC Name: N-(2-cyanoethyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: N-(2-cyanoethyl)-4-(3-keto-6-methyl-1,4-benzoxazin-4-yl)-N-(3-pyridylmethyl)butyramide Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N(CCC#N)CC3=CN=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N(CCC#N)CC3=CN=CC=C3

InChI

InChI=1S/C22H24N4O3/c1-17-7-8-20-19(13-17)26(22(28)16-29-20)12-3-6-21(27)25(11-4-9-23)15-18-5-2-10-24-14-18/h2,5,7-8,10,13-14H,3-4,6,11-12,15-16H2,1H3