N-(2-cyanoethyl)-3-(7-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: N-(2-cyanoethyl)-3-(7-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)propanamide Openeye Name: N-(2-cyanoethyl)-3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-pyridylmethyl)propanamide CAS Name: N-(2-cyanoethyl)-3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-pyridinylmethyl)propanamide IUPAC Name: N-(2-cyanoethyl)-3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)propanamide Traditional Name: N-(2-cyanoethyl)-3-(3-keto-7-methyl-1,4-benzoxazin-4-yl)-N-(3-pyridylmethyl)propionamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)CO2)CCC(=O)N(CCC#N)CC3=CN=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)CO2)CCC(=O)N(CCC#N)CC3=CN=CC=C3

InChI

InChI=1S/C21H22N4O3/c1-16-5-6-18-19(12-16)28-15-21(27)25(18)11-7-20(26)24(10-3-8-22)14-17-4-2-9-23-13-17/h2,4-6,9,12-13H,3,7,10-11,14-15H2,1H3