N-(3-chloranyl-4-fluoranyl-phenyl)-7-(cyclopentylmethoxy)-6-phenylmethoxy-quinazolin-2-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-7-(cyclopentylmethoxy)-6-phenylmethoxy-quinazolin-2-amine Openeye Name: 6-benzyloxy-N-(3-chloro-4-fluoro-phenyl)-7-(cyclopentylmethoxy)quinazolin-2-amine CAS Name: N-(3-chloro-4-fluorophenyl)-7-(cyclopentylmethoxy)-6-phenylmethoxy-2-quinazolinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-7-(cyclopentylmethoxy)-6-phenylmethoxyquinazolin-2-amine Traditional Name: [6-benzoxy-7-(cyclopentylmethoxy)quinazolin-2-yl]-(3-chloro-4-fluoro-phenyl)amine Formula: C27H25ClFN3O2 MolecularWeight: 477.957703

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)COC2=C(C=C3C=NC(=NC3=C2)NC4=CC(=C(C=C4)F)Cl)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)COC2=C(C=C3C=NC(=NC3=C2)NC4=CC(=C(C=C4)F)Cl)OCC5=CC=CC=C5

InChI

InChI=1S/C27H25ClFN3O2/c28-22-13-21(10-11-23(22)29)31-27-30-15-20-12-25(33-16-18-6-2-1-3-7-18)26(14-24(20)32-27)34-17-19-8-4-5-9-19/h1-3,6-7,10-15,19H,4-5,8-9,16-17H2,(H,30,31,32)