6-chloranyl-7-fluoranyl-2-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine

Systemtic Name: 6-chloranyl-7-fluoranyl-2-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine Openeye Name: 2-[4-benzyloxy-3-(trifluoromethyl)phenyl]-6-chloro-7-fluoro-quinazolin-4-amine CAS Name: 6-chloro-7-fluoro-2-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]-4-quinazolinamine IUPAC Name: 6-chloro-7-fluoro-2-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine Traditional Name: [2-[4-benzoxy-3-(trifluoromethyl)phenyl]-6-chloro-7-fluoro-quinazolin-4-yl]amine Formula: C22H14ClF4N3O MolecularWeight: 447.812673

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=NC4=CC(=C(C=C4C(=N3)N)Cl)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=NC4=CC(=C(C=C4C(=N3)N)Cl)F)C(F)(F)F

InChI

InChI=1S/C22H14ClF4N3O/c23-16-9-14-18(10-17(16)24)29-21(30-20(14)28)13-6-7-19(15(8-13)22(25,26)27)31-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,28,29,30)