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

Systemtic Name: (E)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-propoxy-quinazolin-6-yl]-4-piperidin-1-yl-but-2-enamide Openeye Name: (E)-N-[4-(3-chloro-4-fluoro-anilino)-7-propoxy-quinazolin-6-yl]-4-(1-piperidyl)but-2-enamide CAS Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-propoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-propoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide Traditional Name: (E)-N-[4-(3-chloro-4-fluoro-anilino)-7-propoxy-quinazolin-6-yl]-4-piperidino-but-2-enamide Formula: C26H29ClFN5O2 MolecularWeight: 497.992163

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)C=CCN4CCCCC4

Isomeric SMILES

CCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4

InChI

InChI=1S/C26H29ClFN5O2/c1-2-13-35-24-16-22-19(26(30-17-29-22)31-18-8-9-21(28)20(27)14-18)15-23(24)32-25(34)7-6-12-33-10-4-3-5-11-33/h6-9,14-17H,2-5,10-13H2,1H3,(H,32,34)(H,29,30,31)/b7-6+