4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-N-[3-(trifluoromethyl)phenyl]quinazoline-2-carboxamide

Systemtic Name: 4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-N-[3-(trifluoromethyl)phenyl]quinazoline-2-carboxamide Openeye Name: 4-(4-isopropylphenyl)-6-prop-2-ynoxy-N-[3-(trifluoromethyl)phenyl]quinazoline-2-carboxamide CAS Name: 4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-N-[3-(trifluoromethyl)phenyl]-2-quinazolinecarboxamide IUPAC Name: 4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-N-[3-(trifluoromethyl)phenyl]quinazoline-2-carboxamide Traditional Name: 4-p-cumenyl-6-propargyloxy-N-[3-(trifluoromethyl)phenyl]quinazoline-2-carboxamide Formula: C28H22F3N3O2 MolecularWeight: 489.48839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C(=O)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C(=O)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C28H22F3N3O2/c1-4-14-36-22-12-13-24-23(16-22)25(19-10-8-18(9-11-19)17(2)3)34-26(33-24)27(35)32-21-7-5-6-20(15-21)28(29,30)31/h1,5-13,15-17H,14H2,2-3H3,(H,32,35)