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

Systemtic Name: 2-azanyl-4-[3-(3-azanyl-4-oxidanyl-phenyl)-5,7-bis(trifluoromethyl)-1-adamantyl]phenol Openeye Name: 2-amino-4-[3-(3-amino-4-hydroxy-phenyl)-5,7-bis(trifluoromethyl)-1-adamantyl]phenol CAS Name: 2-amino-4-[3-(3-amino-4-hydroxyphenyl)-5,7-bis(trifluoromethyl)-1-adamantyl]phenol IUPAC Name: 2-amino-4-[3-(3-amino-4-hydroxyphenyl)-5,7-bis(trifluoromethyl)-1-adamantyl]phenol Traditional Name: 2-amino-4-[3-(3-amino-4-hydroxy-phenyl)-5,7-bis(trifluoromethyl)-1-adamantyl]phenol Formula: C24H24F6N2O2 MolecularWeight: 486.449979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24F6N2O2/c25-23(26,27)21-8-19(13-1-3-17(33)15(31)5-13)7-20(10-21,14-2-4-18(34)16(32)6-14)11-22(9-19,12-21)24(28,29)30/h1-6,33-34H,7-12,31-32H2