N-(1-cyanocyclohexyl)-4,4-dimethyl-2-[[1-(1-methylpiperidin-4-yl)-2-oxidanylidene-quinazolin-4-yl]amino]pentanamide

Systemtic Name: N-(1-cyanocyclohexyl)-4,4-dimethyl-2-[[1-(1-methylpiperidin-4-yl)-2-oxidanylidene-quinazolin-4-yl]amino]pentanamide Openeye Name: N-(1-cyanocyclohexyl)-4,4-dimethyl-2-[[1-(1-methyl-4-piperidyl)-2-oxo-quinazolin-4-yl]amino]pentanamide CAS Name: N-(1-cyanocyclohexyl)-4,4-dimethyl-2-[[1-(1-methyl-4-piperidinyl)-2-oxo-4-quinazolinyl]amino]pentanamide IUPAC Name: N-(1-cyanocyclohexyl)-4,4-dimethyl-2-[[1-(1-methylpiperidin-4-yl)-2-oxoquinazolin-4-yl]amino]pentanamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[2-keto-1-(1-methyl-4-piperidyl)quinazolin-4-yl]amino]-4,4-dimethyl-valeramide Formula: C28H40N6O2 MolecularWeight: 492.6562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C(=O)NC1(CCCCC1)C#N)NC2=NC(=O)N(C3=CC=CC=C32)C4CCN(CC4)C

Isomeric SMILES

CC(C)(C)CC(C(=O)NC1(CCCCC1)C#N)NC2=NC(=O)N(C3=CC=CC=C32)C4CCN(CC4)C

InChI

InChI=1S/C28H40N6O2/c1-27(2,3)18-22(25(35)32-28(19-29)14-8-5-9-15-28)30-24-21-10-6-7-11-23(21)34(26(36)31-24)20-12-16-33(4)17-13-20/h6-7,10-11,20,22H,5,8-9,12-18H2,1-4H3,(H,32,35)(H,30,31,36)