3-[furan-2-ylmethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide

Systemtic Name: 3-[furan-2-ylmethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide Openeye Name: 3-[2-furylmethyl-[2-(2-thienyl)quinazolin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]propanamide CAS Name: 3-[2-furanylmethyl-(2-thiophen-2-yl-4-quinazolinyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide IUPAC Name: 3-[furan-2-ylmethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide Traditional Name: 3-[2-furfuryl-[2-(2-thienyl)quinazolin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]propionamide Formula: C27H21F3N4O2S MolecularWeight: 522.54145

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CS3)N(CCC(=O)NC4=CC=CC(=C4)C(F)(F)F)CC5=CC=CO5

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CS3)N(CCC(=O)NC4=CC=CC(=C4)C(F)(F)F)CC5=CC=CO5

InChI

InChI=1S/C27H21F3N4O2S/c28-27(29,30)18-6-3-7-19(16-18)31-24(35)12-13-34(17-20-8-4-14-36-20)26-21-9-1-2-10-22(21)32-25(33-26)23-11-5-15-37-23/h1-11,14-16H,12-13,17H2,(H,31,35)