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

Systemtic Name: 2-azanyl-4-[3-(3-azanyl-4-oxidanyl-phenyl)-5-fluoranyl-1-adamantyl]phenol Openeye Name: 2-amino-4-[3-(3-amino-4-hydroxy-phenyl)-5-fluoro-1-adamantyl]phenol CAS Name: 2-amino-4-[3-(3-amino-4-hydroxyphenyl)-5-fluoro-1-adamantyl]phenol IUPAC Name: 2-amino-4-[3-(3-amino-4-hydroxyphenyl)-5-fluoro-1-adamantyl]phenol Traditional Name: 2-amino-4-[3-(3-amino-4-hydroxy-phenyl)-5-fluoro-1-adamantyl]phenol Formula: C22H25FN2O2 MolecularWeight: 368.444503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN2O2/c23-22-9-13-7-20(11-22,14-1-3-18(26)16(24)5-14)10-21(8-13,12-22)15-2-4-19(27)17(25)6-15/h1-6,13,26-27H,7-12,24-25H2