N-[4-[[[2-(dimethylamino)-7-ethenyl-quinazolin-4-yl]amino]methyl]phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[4-[[[2-(dimethylamino)-7-ethenyl-quinazolin-4-yl]amino]methyl]phenyl]-4-fluoranyl-benzamide Openeye Name: N-[4-[[[2-(dimethylamino)-7-vinyl-quinazolin-4-yl]amino]methyl]phenyl]-4-fluoro-benzamide CAS Name: N-[4-[[[2-(dimethylamino)-7-ethenyl-4-quinazolinyl]amino]methyl]phenyl]-4-fluorobenzamide IUPAC Name: N-[4-[[[2-(dimethylamino)-7-ethenylquinazolin-4-yl]amino]methyl]phenyl]-4-fluorobenzamide Traditional Name: N-[4-[[[2-(dimethylamino)-7-vinyl-quinazolin-4-yl]amino]methyl]phenyl]-4-fluoro-benzamide Formula: C26H24FN5O MolecularWeight: 441.500063

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC2=C(C=CC(=C2)C=C)C(=N1)NCC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CN(C)C1=NC2=C(C=CC(=C2)C=C)C(=N1)NCC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H24FN5O/c1-4-17-7-14-22-23(15-17)30-26(32(2)3)31-24(22)28-16-18-5-12-21(13-6-18)29-25(33)19-8-10-20(27)11-9-19/h4-15H,1,16H2,2-3H3,(H,29,33)(H,28,30,31)