2-azanyl-4-[3-(3-azanyl-4-oxidanyl-phenyl)-5,7-bis(fluoranyl)-1-adamantyl]phenol

Systemtic Name: 2-azanyl-4-[3-(3-azanyl-4-oxidanyl-phenyl)-5,7-bis(fluoranyl)-1-adamantyl]phenol Openeye Name: 2-amino-4-[3-(3-amino-4-hydroxy-phenyl)-5,7-difluoro-1-adamantyl]phenol CAS Name: 2-amino-4-[3-(3-amino-4-hydroxyphenyl)-5,7-difluoro-1-adamantyl]phenol IUPAC Name: 2-amino-4-[3-(3-amino-4-hydroxyphenyl)-5,7-difluoro-1-adamantyl]phenol Traditional Name: 2-amino-4-[3-(3-amino-4-hydroxy-phenyl)-5,7-difluoro-1-adamantyl]phenol Formula: C22H24F2N2O2 MolecularWeight: 386.434966

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Descriptors Computed from Structure

Canonical SMILES:

C1C2(CC3(CC1(CC(C2)(C3)F)C4=CC(=C(C=C4)O)N)F)C5=CC(=C(C=C5)O)N

Isomeric SMILES

C1C2(CC3(CC1(CC(C2)(C3)F)C4=CC(=C(C=C4)O)N)F)C5=CC(=C(C=C5)O)N

InChI

InChI=1S/C22H24F2N2O2/c23-21-8-19(13-1-3-17(27)15(25)5-13)7-20(10-21,11-22(24,9-19)12-21)14-2-4-18(28)16(26)6-14/h1-6,27-28H,7-12,25-26H2