N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazolin-6-yl]-4-oxidanyl-but-2-ynamide

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazolin-6-yl]-4-oxidanyl-but-2-ynamide Openeye Name: N-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]-4-hydroxy-but-2-ynamide CAS Name: N-[4-(3-chloro-4-fluoroanilino)-6-quinazolinyl]-4-hydroxy-2-butynamide IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-4-hydroxybut-2-ynamide Traditional Name: N-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]-4-hydroxy-but-2-ynamide Formula: C18H12ClFN4O2 MolecularWeight: 370.764883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)C#CCO)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)C#CCO)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H12ClFN4O2/c19-14-9-12(3-5-15(14)20)24-18-13-8-11(23-17(26)2-1-7-25)4-6-16(13)21-10-22-18/h3-6,8-10,25H,7H2,(H,23,26)(H,21,22,24)