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

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazoline-2-carboxamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazoline-2-carboxamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinecarboxamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazoline-2-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-p-cumenyl-6-propargyloxy-quinazoline-2-carboxamide Formula: C29H21F6N3O2 MolecularWeight: 557.486359

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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)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)C(F)(F)F

InChI

InChI=1S/C29H21F6N3O2/c1-4-11-40-22-9-10-24-23(15-22)25(18-7-5-17(6-8-18)16(2)3)38-26(37-24)27(39)36-21-13-19(28(30,31)32)12-20(14-21)29(33,34)35/h1,5-10,12-16H,11H2,2-3H3,(H,36,39)