N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazolin-6-yl]-5-(4-methylpiperazin-1-yl)pent-2-ynamide

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazolin-6-yl]-5-(4-methylpiperazin-1-yl)pent-2-ynamide Openeye Name: N-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]-5-(4-methylpiperazin-1-yl)pent-2-ynamide CAS Name: N-[4-(3-chloro-4-fluoroanilino)-6-quinazolinyl]-5-(4-methyl-1-piperazinyl)-2-pentynamide IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-5-(4-methylpiperazin-1-yl)pent-2-ynamide Traditional Name: N-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]-5-(4-methylpiperazino)pent-2-ynamide Formula: C24H24ClFN6O MolecularWeight: 466.938363

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCC#CC(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CN1CCN(CC1)CCC#CC(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C24H24ClFN6O/c1-31-10-12-32(13-11-31)9-3-2-4-23(33)29-17-6-8-22-19(14-17)24(28-16-27-22)30-18-5-7-21(26)20(25)15-18/h5-8,14-16H,3,9-13H2,1H3,(H,29,33)(H,27,28,30)