(E)-4,4,4-tris(fluoranyl)-N-[4-(quinolin-6-ylamino)quinazolin-6-yl]but-2-enamide

Systemtic Name: (E)-4,4,4-tris(fluoranyl)-N-[4-(quinolin-6-ylamino)quinazolin-6-yl]but-2-enamide Openeye Name: (E)-4,4,4-trifluoro-N-[4-(6-quinolylamino)quinazolin-6-yl]but-2-enamide CAS Name: (E)-4,4,4-trifluoro-N-[4-(6-quinolinylamino)-6-quinazolinyl]-2-butenamide IUPAC Name: (E)-4,4,4-trifluoro-N-[4-(quinolin-6-ylamino)quinazolin-6-yl]but-2-enamide Traditional Name: (E)-4,4,4-trifluoro-N-[4-(6-quinolylamino)quinazolin-6-yl]but-2-enamide Formula: C21H14F3N5O MolecularWeight: 409.36397

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)NC3=NC=NC4=C3C=C(C=C4)NC(=O)C=CC(F)(F)F)N=C1

Isomeric SMILES

C1=CC2=C(C=CC(=C2)NC3=NC=NC4=C3C=C(C=C4)NC(=O)/C=C/C(F)(F)F)N=C1

InChI

InChI=1S/C21H14F3N5O/c22-21(23,24)8-7-19(30)28-15-4-6-18-16(11-15)20(27-12-26-18)29-14-3-5-17-13(10-14)2-1-9-25-17/h1-12H,(H,28,30)(H,26,27,29)/b8-7+