3-(2-azanylquinazolin-6-yl)-N-[4-bromanyl-3-(trifluoromethyl)phenyl]-4-methyl-benzamide

Systemtic Name: 3-(2-azanylquinazolin-6-yl)-N-[4-bromanyl-3-(trifluoromethyl)phenyl]-4-methyl-benzamide Openeye Name: 3-(2-aminoquinazolin-6-yl)-N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methyl-benzamide CAS Name: 3-(2-amino-6-quinazolinyl)-N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methylbenzamide IUPAC Name: 3-(2-aminoquinazolin-6-yl)-N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methylbenzamide Traditional Name: 3-(2-aminoquinazolin-6-yl)-N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methyl-benzamide Formula: C23H16BrF3N4O MolecularWeight: 501.29855

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F)C3=CC4=CN=C(N=C4C=C3)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F)C3=CC4=CN=C(N=C4C=C3)N

InChI

InChI=1S/C23H16BrF3N4O/c1-12-2-3-14(21(32)30-16-5-6-19(24)18(10-16)23(25,26)27)9-17(12)13-4-7-20-15(8-13)11-29-22(28)31-20/h2-11H,1H3,(H,30,32)(H2,28,29,31)