N-(1-cyanocyclopropyl)-2-[(7-fluoranyl-2-oxidanylidene-1,3-benzoxazin-4-yl)amino]-5,5-dimethyl-heptanamide

Systemtic Name: N-(1-cyanocyclopropyl)-2-[(7-fluoranyl-2-oxidanylidene-1,3-benzoxazin-4-yl)amino]-5,5-dimethyl-heptanamide Openeye Name: N-(1-cyanocyclopropyl)-2-[(7-fluoro-2-oxo-1,3-benzoxazin-4-yl)amino]-5,5-dimethyl-heptanamide CAS Name: N-(1-cyanocyclopropyl)-2-[(7-fluoro-2-oxo-1,3-benzoxazin-4-yl)amino]-5,5-dimethylheptanamide IUPAC Name: N-(1-cyanocyclopropyl)-2-[(7-fluoro-2-oxo-1,3-benzoxazin-4-yl)amino]-5,5-dimethylheptanamide Traditional Name: N-(1-cyanocyclopropyl)-2-[(7-fluoro-2-keto-1,3-benzoxazin-4-yl)amino]-5,5-dimethyl-enanthamide Formula: C21H25FN4O3 MolecularWeight: 400.446603

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)CCC(C(=O)NC1(CC1)C#N)NC2=NC(=O)OC3=C2C=CC(=C3)F

Isomeric SMILES

CCC(C)(C)CCC(C(=O)NC1(CC1)C#N)NC2=NC(=O)OC3=C2C=CC(=C3)F

InChI

InChI=1S/C21H25FN4O3/c1-4-20(2,3)8-7-15(18(27)26-21(12-23)9-10-21)24-17-14-6-5-13(22)11-16(14)29-19(28)25-17/h5-6,11,15H,4,7-10H2,1-3H3,(H,26,27)(H,24,25,28)