(E)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-propoxy-quinazolin-6-yl]-5-piperidin-1-yl-pent-2-enamide

Systemtic Name: (E)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-propoxy-quinazolin-6-yl]-5-piperidin-1-yl-pent-2-enamide Openeye Name: (E)-N-[4-(3-chloro-4-fluoro-anilino)-7-propoxy-quinazolin-6-yl]-5-(1-piperidyl)pent-2-enamide CAS Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-propoxy-6-quinazolinyl]-5-(1-piperidinyl)-2-pentenamide IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-propoxyquinazolin-6-yl]-5-piperidin-1-ylpent-2-enamide Traditional Name: (E)-N-[4-(3-chloro-4-fluoro-anilino)-7-propoxy-quinazolin-6-yl]-5-piperidino-pent-2-enamide Formula: C27H31ClFN5O2 MolecularWeight: 512.018743

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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=CCCN4CCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C27H31ClFN5O2/c1-2-14-36-25-17-23-20(27(31-18-30-23)32-19-9-10-22(29)21(28)15-19)16-24(25)33-26(35)8-4-7-13-34-11-5-3-6-12-34/h4,8-10,15-18H,2-3,5-7,11-14H2,1H3,(H,33,35)(H,30,31,32)/b8-4+