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

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazolin-6-yl]-5-imidazol-1-yl-pent-2-ynamide Openeye Name: N-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]-5-imidazol-1-yl-pent-2-ynamide CAS Name: N-[4-(3-chloro-4-fluoroanilino)-6-quinazolinyl]-5-(1-imidazolyl)-2-pentynamide IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-5-imidazol-1-ylpent-2-ynamide Traditional Name: N-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]-5-imidazol-1-yl-pent-2-ynamide Formula: C22H16ClFN6O MolecularWeight: 434.853443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)C#CCCN3C=CN=C3)C(=NC=N2)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)C#CCCN3C=CN=C3)C(=NC=N2)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H16ClFN6O/c23-18-12-16(4-6-19(18)24)29-22-17-11-15(5-7-20(17)26-13-27-22)28-21(31)3-1-2-9-30-10-8-25-14-30/h4-8,10-14H,2,9H2,(H,28,31)(H,26,27,29)