N-[4-[(3-ethynylphenyl)amino]-7-fluoranyl-quinazolin-6-yl]morpholine-4-carboxamide

Systemtic Name: N-[4-[(3-ethynylphenyl)amino]-7-fluoranyl-quinazolin-6-yl]morpholine-4-carboxamide Openeye Name: N-[4-(3-ethynylanilino)-7-fluoro-quinazolin-6-yl]morpholine-4-carboxamide CAS Name: N-[4-(3-ethynylanilino)-7-fluoro-6-quinazolinyl]-4-morpholinecarboxamide IUPAC Name: N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]morpholine-4-carboxamide Traditional Name: N-[4-(3-ethynylanilino)-7-fluoro-quinazolin-6-yl]morpholine-4-carboxamide Formula: C21H18FN5O2 MolecularWeight: 391.398323

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=CC(=C(C=C32)NC(=O)N4CCOCC4)F

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=CC(=C(C=C32)NC(=O)N4CCOCC4)F

InChI

InChI=1S/C21H18FN5O2/c1-2-14-4-3-5-15(10-14)25-20-16-11-19(17(22)12-18(16)23-13-24-20)26-21(28)27-6-8-29-9-7-27/h1,3-5,10-13H,6-9H2,(H,26,28)(H,23,24,25)