N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazoline-2-carboxamide

Systemtic Name: N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazoline-2-carboxamide Openeye Name: 4-(4-isopropylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-prop-2-ynoxy-quinazoline-2-carboxamide CAS Name: N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinecarboxamide IUPAC Name: N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazoline-2-carboxamide Traditional Name: N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-p-cumenyl-6-propargyloxy-quinazoline-2-carboxamide Formula: C29H24F3N3O3 MolecularWeight: 519.51437

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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)OC

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)OC

InChI

InChI=1S/C29H24F3N3O3/c1-5-12-38-22-10-11-25-24(16-22)26(19-8-6-18(7-9-19)17(2)3)35-27(34-25)28(36)33-21-13-20(29(30,31)32)14-23(15-21)37-4/h1,6-11,13-17H,12H2,2-4H3,(H,33,36)