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

Systemtic Name: N-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazoline-2-carboxamide Openeye Name: N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazoline-2-carboxamide CAS Name: N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinecarboxamide IUPAC Name: N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazoline-2-carboxamide Traditional Name: N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-p-cumenyl-6-propargyloxy-quinazoline-2-carboxamide Formula: C28H21F4N3O2 MolecularWeight: 507.478853

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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)F)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)F)C(F)(F)F

InChI

InChI=1S/C28H21F4N3O2/c1-4-13-37-20-10-12-24-21(15-20)25(18-7-5-17(6-8-18)16(2)3)35-26(34-24)27(36)33-19-9-11-23(29)22(14-19)28(30,31)32/h1,5-12,14-16H,13H2,2-3H3,(H,33,36)