N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-cyclopentyloxy-quinazolin-6-yl]-N-diethoxyphosphoryl-ethanamide

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-cyclopentyloxy-quinazolin-6-yl]-N-diethoxyphosphoryl-ethanamide Openeye Name: N-[4-(3-chloro-4-fluoro-anilino)-7-(cyclopentoxy)quinazolin-6-yl]-N-diethoxyphosphoryl-acetamide CAS Name: N-[4-(3-chloro-4-fluoroanilino)-7-cyclopentyloxy-6-quinazolinyl]-N-diethoxyphosphorylacetamide IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)-7-cyclopentyloxyquinazolin-6-yl]-N-diethoxyphosphorylacetamide Traditional Name: N-[4-(3-chloro-4-fluoro-anilino)-7-(cyclopentoxy)quinazolin-6-yl]-N-diethoxyphosphoryl-acetamide Formula: C25H29ClFN4O5P MolecularWeight: 550.946724

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(N(C1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCCC4)C(=O)C)OCC

Isomeric SMILES

CCOP(=O)(N(C1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCCC4)C(=O)C)OCC

InChI

InChI=1S/C25H29ClFN4O5P/c1-4-34-37(33,35-5-2)31(16(3)32)23-13-19-22(14-24(23)36-18-8-6-7-9-18)28-15-29-25(19)30-17-10-11-21(27)20(26)12-17/h10-15,18H,4-9H2,1-3H3,(H,28,29,30)