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

Systemtic Name: N-(1-cyano-2-phenylmethoxy-ethyl)-3-cyclohexyl-2-[[1-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxidanylidene-quinazolin-4-yl]amino]propanamide Openeye Name: N-(2-benzyloxy-1-cyano-ethyl)-3-cyclohexyl-2-[[1-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-quinazolin-4-yl]amino]propanamide CAS Name: N-(1-cyano-2-phenylmethoxyethyl)-3-cyclohexyl-2-[[1-[2-(4-methyl-1-piperazinyl)ethyl]-2-oxo-4-quinazolinyl]amino]propanamide IUPAC Name: N-(1-cyano-2-phenylmethoxyethyl)-3-cyclohexyl-2-[[1-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxoquinazolin-4-yl]amino]propanamide Traditional Name: N-(2-benzoxy-1-cyano-ethyl)-3-cyclohexyl-2-[[2-keto-1-[2-(4-methylpiperazino)ethyl]quinazolin-4-yl]amino]propionamide Formula: C34H45N7O3 MolecularWeight: 599.7662

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCN2C3=CC=CC=C3C(=NC2=O)NC(CC4CCCCC4)C(=O)NC(COCC5=CC=CC=C5)C#N

Isomeric SMILES

CN1CCN(CC1)CCN2C3=CC=CC=C3C(=NC2=O)NC(CC4CCCCC4)C(=O)NC(COCC5=CC=CC=C5)C#N

InChI

InChI=1S/C34H45N7O3/c1-39-16-18-40(19-17-39)20-21-41-31-15-9-8-14-29(31)32(38-34(41)43)37-30(22-26-10-4-2-5-11-26)33(42)36-28(23-35)25-44-24-27-12-6-3-7-13-27/h3,6-9,12-15,26,28,30H,2,4-5,10-11,16-22,24-25H2,1H3,(H,36,42)(H,37,38,43)