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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC(C2(C4=CC(=C(C=C4)O)N)C5=CC(=C(C=C5)O)N)CC1(C3)F)F

Isomeric SMILES

C1C2CC3(CC(C2(C4=CC(=C(C=C4)O)N)C5=CC(=C(C=C5)O)N)CC1(C3)F)F

InChI

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