N-(3-chloranyl-4-fluoranyl-phenyl)-7-cyclobutyloxy-6-phenylmethoxy-quinazolin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-7-cyclobutyloxy-6-phenylmethoxy-quinazolin-4-amine Openeye Name: 6-benzyloxy-N-(3-chloro-4-fluoro-phenyl)-7-(cyclobutoxy)quinazolin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-7-cyclobutyloxy-6-phenylmethoxy-4-quinazolinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-7-cyclobutyloxy-6-phenylmethoxyquinazolin-4-amine Traditional Name: [6-benzoxy-7-(cyclobutoxy)quinazolin-4-yl]-(3-chloro-4-fluoro-phenyl)amine Formula: C25H21ClFN3O2 MolecularWeight: 449.904543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)OC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)OCC5=CC=CC=C5

Isomeric SMILES

C1CC(C1)OC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)OCC5=CC=CC=C5

InChI

InChI=1S/C25H21ClFN3O2/c26-20-11-17(9-10-21(20)27)30-25-19-12-23(31-14-16-5-2-1-3-6-16)24(32-18-7-4-8-18)13-22(19)28-15-29-25/h1-3,5-6,9-13,15,18H,4,7-8,14H2,(H,28,29,30)