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

Systemtic Name: N-(1-cyanocyclohexyl)-3-cyclooctyl-2-[[1-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxidanylidene-quinazolin-4-yl]amino]propanamide Openeye Name: N-(1-cyanocyclohexyl)-3-cyclooctyl-2-[[1-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-quinazolin-4-yl]amino]propanamide CAS Name: N-(1-cyanocyclohexyl)-3-cyclooctyl-2-[[1-[2-(4-methyl-1-piperazinyl)ethyl]-2-oxo-4-quinazolinyl]amino]propanamide IUPAC Name: N-(1-cyanocyclohexyl)-3-cyclooctyl-2-[[1-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxoquinazolin-4-yl]amino]propanamide Traditional Name: N-(1-cyanocyclohexyl)-3-cyclooctyl-2-[[2-keto-1-[2-(4-methylpiperazino)ethyl]quinazolin-4-yl]amino]propionamide Formula: C33H49N7O2 MolecularWeight: 575.78786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCN2C3=CC=CC=C3C(=NC2=O)NC(CC4CCCCCCC4)C(=O)NC5(CCCCC5)C#N

Isomeric SMILES

CN1CCN(CC1)CCN2C3=CC=CC=C3C(=NC2=O)NC(CC4CCCCCCC4)C(=O)NC5(CCCCC5)C#N

InChI

InChI=1S/C33H49N7O2/c1-38-18-20-39(21-19-38)22-23-40-29-15-9-8-14-27(29)30(36-32(40)42)35-28(24-26-12-6-3-2-4-7-13-26)31(41)37-33(25-34)16-10-5-11-17-33/h8-9,14-15,26,28H,2-7,10-13,16-24H2,1H3,(H,37,41)(H,35,36,42)