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

Systemtic Name: 3-(2-azanylquinazolin-6-yl)-4-methyl-N-[4-(2-phenylethynyl)-3-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-(2-phenylethynyl)-3-(trifluoromethyl)phenyl]benzamide CAS Name: 3-(2-amino-6-quinazolinyl)-4-methyl-N-[4-(2-phenylethynyl)-3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-(2-phenylethynyl)-3-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-(2-phenylethynyl)-3-(trifluoromethyl)phenyl]benzamide Formula: C31H21F3N4O MolecularWeight: 522.51985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C#CC3=CC=CC=C3)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#CC3=CC=CC=C3)C(F)(F)F)C4=CC5=CN=C(N=C5C=C4)N

InChI

InChI=1S/C31H21F3N4O/c1-19-7-9-23(16-26(19)22-12-14-28-24(15-22)18-36-30(35)38-28)29(39)37-25-13-11-21(27(17-25)31(32,33)34)10-8-20-5-3-2-4-6-20/h2-7,9,11-18H,1H3,(H,37,39)(H2,35,36,38)