N-(1-cyanocyclopropyl)-3-cyclohexyl-2-[[1-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxidanylidene-quinazolin-4-yl]amino]propanamide

Systemtic Name: N-(1-cyanocyclopropyl)-3-cyclohexyl-2-[[1-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxidanylidene-quinazolin-4-yl]amino]propanamide Openeye Name: N-(1-cyanocyclopropyl)-3-cyclohexyl-2-[[1-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-quinazolin-4-yl]amino]propanamide CAS Name: N-(1-cyanocyclopropyl)-3-cyclohexyl-2-[[1-[2-(4-methyl-1-piperazinyl)ethyl]-2-oxo-4-quinazolinyl]amino]propanamide IUPAC Name: N-(1-cyanocyclopropyl)-3-cyclohexyl-2-[[1-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxoquinazolin-4-yl]amino]propanamide Traditional Name: N-(1-cyanocyclopropyl)-3-cyclohexyl-2-[[2-keto-1-[2-(4-methylpiperazino)ethyl]quinazolin-4-yl]amino]propionamide Formula: C28H39N7O2 MolecularWeight: 505.65496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCN2C3=CC=CC=C3C(=NC2=O)NC(CC4CCCCC4)C(=O)NC5(CC5)C#N

Isomeric SMILES

CN1CCN(CC1)CCN2C3=CC=CC=C3C(=NC2=O)NC(CC4CCCCC4)C(=O)NC5(CC5)C#N

InChI

InChI=1S/C28H39N7O2/c1-33-13-15-34(16-14-33)17-18-35-24-10-6-5-9-22(24)25(31-27(35)37)30-23(19-21-7-3-2-4-8-21)26(36)32-28(20-29)11-12-28/h5-6,9-10,21,23H,2-4,7-8,11-19H2,1H3,(H,32,36)(H,30,31,37)