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

Systemtic Name: (E)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-cyclobutyloxy-quinazolin-6-yl]-4-pyrrolidin-1-yl-but-2-enamide Openeye Name: (E)-N-[4-(3-chloro-4-fluoro-anilino)-7-(cyclobutoxy)quinazolin-6-yl]-4-pyrrolidin-1-yl-but-2-enamide CAS Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-cyclobutyloxy-6-quinazolinyl]-4-(1-pyrrolidinyl)-2-butenamide IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-cyclobutyloxyquinazolin-6-yl]-4-pyrrolidin-1-ylbut-2-enamide Traditional Name: (E)-N-[4-(3-chloro-4-fluoro-anilino)-7-(cyclobutoxy)quinazolin-6-yl]-4-pyrrolidino-but-2-enamide Formula: C26H27ClFN5O2 MolecularWeight: 495.976283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC=CC(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OC5CCC5

Isomeric SMILES

C1CCN(C1)C/C=C/C(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OC5CCC5

InChI

InChI=1S/C26H27ClFN5O2/c27-20-13-17(8-9-21(20)28)31-26-19-14-23(32-25(34)7-4-12-33-10-1-2-11-33)24(35-18-5-3-6-18)15-22(19)29-16-30-26/h4,7-9,13-16,18H,1-3,5-6,10-12H2,(H,32,34)(H,29,30,31)/b7-4+