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

Systemtic Name: 6-chloranyl-7-fluoranyl-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine Openeye Name: N-[4-benzyloxy-3-(trifluoromethyl)phenyl]-6-chloro-7-fluoro-quinazolin-4-amine CAS Name: 6-chloro-7-fluoro-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]-4-quinazolinamine IUPAC Name: 6-chloro-7-fluoro-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine Traditional Name: [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)NC3=NC=NC4=CC(=C(C=C43)Cl)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)NC3=NC=NC4=CC(=C(C=C43)Cl)F)C(F)(F)F

InChI

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