3-(2-azanylquinazolin-6-yl)-N-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-4-methyl-benzamide

Systemtic Name: 3-(2-azanylquinazolin-6-yl)-N-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-4-methyl-benzamide Openeye Name: 3-(2-aminoquinazolin-6-yl)-N-(2,2-difluoro-1,3-benzodioxol-4-yl)-4-methyl-benzamide CAS Name: 3-(2-amino-6-quinazolinyl)-N-(2,2-difluoro-1,3-benzodioxol-4-yl)-4-methylbenzamide IUPAC Name: 3-(2-aminoquinazolin-6-yl)-N-(2,2-difluoro-1,3-benzodioxol-4-yl)-4-methylbenzamide Traditional Name: 3-(2-aminoquinazolin-6-yl)-N-(2,2-difluoro-1,3-benzodioxol-4-yl)-4-methyl-benzamide Formula: C23H16F2N4O3 MolecularWeight: 434.394946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC=C2)OC(O3)(F)F)C4=CC5=CN=C(N=C5C=C4)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC=C2)OC(O3)(F)F)C4=CC5=CN=C(N=C5C=C4)N

InChI

InChI=1S/C23H16F2N4O3/c1-12-5-6-14(10-16(12)13-7-8-17-15(9-13)11-27-22(26)29-17)21(30)28-18-3-2-4-19-20(18)32-23(24,25)31-19/h2-11H,1H3,(H,28,30)(H2,26,27,29)