N-(1-cyanocyclopropyl)-5,5-dimethyl-2-[(1-methyl-2-oxidanylidene-quinazolin-4-yl)amino]heptanamide

Systemtic Name: N-(1-cyanocyclopropyl)-5,5-dimethyl-2-[(1-methyl-2-oxidanylidene-quinazolin-4-yl)amino]heptanamide Openeye Name: N-(1-cyanocyclopropyl)-5,5-dimethyl-2-[(1-methyl-2-oxo-quinazolin-4-yl)amino]heptanamide CAS Name: N-(1-cyanocyclopropyl)-5,5-dimethyl-2-[(1-methyl-2-oxo-4-quinazolinyl)amino]heptanamide IUPAC Name: N-(1-cyanocyclopropyl)-5,5-dimethyl-2-[(1-methyl-2-oxoquinazolin-4-yl)amino]heptanamide Traditional Name: N-(1-cyanocyclopropyl)-2-[(2-keto-1-methyl-quinazolin-4-yl)amino]-5,5-dimethyl-enanthamide Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)CCC(C(=O)NC1(CC1)C#N)NC2=NC(=O)N(C3=CC=CC=C32)C

Isomeric SMILES

CCC(C)(C)CCC(C(=O)NC1(CC1)C#N)NC2=NC(=O)N(C3=CC=CC=C32)C

InChI

InChI=1S/C22H29N5O2/c1-5-21(2,3)11-10-16(19(28)26-22(14-23)12-13-22)24-18-15-8-6-7-9-17(15)27(4)20(29)25-18/h6-9,16H,5,10-13H2,1-4H3,(H,26,28)(H,24,25,29)