2-azanyl-4-[2-(3-azanyl-4-oxidanyl-phenyl)-5-(trifluoromethyl)-2-adamantyl]phenol

Systemtic Name: 2-azanyl-4-[2-(3-azanyl-4-oxidanyl-phenyl)-5-(trifluoromethyl)-2-adamantyl]phenol Openeye Name: 2-amino-4-[2-(3-amino-4-hydroxy-phenyl)-5-(trifluoromethyl)-2-adamantyl]phenol CAS Name: 2-amino-4-[2-(3-amino-4-hydroxyphenyl)-5-(trifluoromethyl)-2-adamantyl]phenol IUPAC Name: 2-amino-4-[2-(3-amino-4-hydroxyphenyl)-5-(trifluoromethyl)-2-adamantyl]phenol Traditional Name: 2-amino-4-[2-(3-amino-4-hydroxy-phenyl)-5-(trifluoromethyl)-2-adamantyl]phenol Formula: C23H25F3N2O2 MolecularWeight: 418.45201

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3(C4=CC(=C(C=C4)O)N)C5=CC(=C(C=C5)O)N)C(F)(F)F

Isomeric SMILES

C1C2CC3CC(C2)(CC1C3(C4=CC(=C(C=C4)O)N)C5=CC(=C(C=C5)O)N)C(F)(F)F

InChI

InChI=1S/C23H25F3N2O2/c24-23(25,26)21-9-12-5-15(10-21)22(16(6-12)11-21,13-1-3-19(29)17(27)7-13)14-2-4-20(30)18(28)8-14/h1-4,7-8,12,15-16,29-30H,5-6,9-11,27-28H2