(E)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-ethoxy-quinazolin-6-yl]-4-piperidin-1-yl-but-2-enamide

Systemtic Name: (E)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-ethoxy-quinazolin-6-yl]-4-piperidin-1-yl-but-2-enamide Openeye Name: (E)-N-[4-(3-chloro-4-fluoro-anilino)-7-ethoxy-quinazolin-6-yl]-4-(1-piperidyl)but-2-enamide CAS Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-ethoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide Traditional Name: (E)-N-[4-(3-chloro-4-fluoro-anilino)-7-ethoxy-quinazolin-6-yl]-4-piperidino-but-2-enamide Formula: C25H27ClFN5O2 MolecularWeight: 483.965583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)C=CCN4CCCCC4

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4

InChI

InChI=1S/C25H27ClFN5O2/c1-2-34-23-15-21-18(25(29-16-28-21)30-17-8-9-20(27)19(26)13-17)14-22(23)31-24(33)7-6-12-32-10-4-3-5-11-32/h6-9,13-16H,2-5,10-12H2,1H3,(H,31,33)(H,28,29,30)/b7-6+