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

Systemtic Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazoline-2-carboxamide Openeye Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazoline-2-carboxamide CAS Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinecarboxamide IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazoline-2-carboxamide Traditional Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-4-p-cumenyl-6-propargyloxy-quinazoline-2-carboxamide Formula: C29H21F3N4O2 MolecularWeight: 514.49785

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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(=C(C=C4)C#N)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(=C(C=C4)C#N)C(F)(F)F

InChI

InChI=1S/C29H21F3N4O2/c1-4-13-38-22-11-12-25-23(15-22)26(19-7-5-18(6-8-19)17(2)3)36-27(35-25)28(37)34-21-10-9-20(16-33)24(14-21)29(30,31)32/h1,5-12,14-15,17H,13H2,2-3H3,(H,34,37)