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

Systemtic Name: 3-(2-azanylquinazolin-6-yl)-N-[4-(2-cyclopropylethynyl)-3-(trifluoromethyl)phenyl]-4-methyl-benzamide Openeye Name: 3-(2-aminoquinazolin-6-yl)-N-[4-(2-cyclopropylethynyl)-3-(trifluoromethyl)phenyl]-4-methyl-benzamide CAS Name: 3-(2-amino-6-quinazolinyl)-N-[4-(2-cyclopropylethynyl)-3-(trifluoromethyl)phenyl]-4-methylbenzamide IUPAC Name: 3-(2-aminoquinazolin-6-yl)-N-[4-(2-cyclopropylethynyl)-3-(trifluoromethyl)phenyl]-4-methylbenzamide Traditional Name: 3-(2-aminoquinazolin-6-yl)-N-[4-(2-cyclopropylethynyl)-3-(trifluoromethyl)phenyl]-4-methyl-benzamide Formula: C28H21F3N4O MolecularWeight: 486.48775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C#CC3CC3)C(F)(F)F)C4=CC5=CN=C(N=C5C=C4)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C#CC3CC3)C(F)(F)F)C4=CC5=CN=C(N=C5C=C4)N

InChI

InChI=1S/C28H21F3N4O/c1-16-2-6-20(13-23(16)19-9-11-25-21(12-19)15-33-27(32)35-25)26(36)34-22-10-8-18(7-5-17-3-4-17)24(14-22)28(29,30)31/h2,6,8-15,17H,3-4H2,1H3,(H,34,36)(H2,32,33,35)