(E)-4,4,4-tris(fluoranyl)-N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]but-2-enamide

Systemtic Name: (E)-4,4,4-tris(fluoranyl)-N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]but-2-enamide Openeye Name: (E)-4,4,4-trifluoro-N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]but-2-enamide CAS Name: (E)-4,4,4-trifluoro-N-[4-(1H-indol-5-ylamino)-6-quinazolinyl]-2-butenamide IUPAC Name: (E)-4,4,4-trifluoro-N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]but-2-enamide Traditional Name: (E)-4,4,4-trifluoro-N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]but-2-enamide Formula: C20H14F3N5O MolecularWeight: 397.35327

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN2)C=C1NC3=NC=NC4=C3C=C(C=C4)NC(=O)C=CC(F)(F)F

Isomeric SMILES

C1=CC2=C(C=CN2)C=C1NC3=NC=NC4=C3C=C(C=C4)NC(=O)/C=C/C(F)(F)F

InChI

InChI=1S/C20H14F3N5O/c21-20(22,23)7-5-18(29)27-14-2-4-17-15(10-14)19(26-11-25-17)28-13-1-3-16-12(9-13)6-8-24-16/h1-11,24H,(H,27,29)(H,25,26,28)/b7-5+