8-fluoranyl-1-[[(1R,3S)-5-oxidanyl-2-adamantyl]amino]-5H-pyrido[4,3-b]indole-4-carboxamide

Systemtic Name: 8-fluoranyl-1-[[(1R,3S)-5-oxidanyl-2-adamantyl]amino]-5H-pyrido[4,3-b]indole-4-carboxamide Openeye Name: 8-fluoro-1-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-5H-pyrido[4,3-b]indole-4-carboxamide CAS Name: 8-fluoro-1-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-5H-pyrido[4,3-b]indole-4-carboxamide IUPAC Name: 8-fluoro-1-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-5H-pyrido[4,3-b]indole-4-carboxamide Traditional Name: 8-fluoro-1-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-5H-pyrid[4,3-b]indole-4-carboxamide Formula: C22H23FN4O2 MolecularWeight: 394.442023

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3NC4=NC=C(C5=C4C6=C(N5)C=CC(=C6)F)C(=O)N)O

Isomeric SMILES

C1[C@@H]2CC3(C[C@@H](C2NC4=NC=C(C5=C4C6=C(N5)C=CC(=C6)F)C(=O)N)CC1C3)O

InChI

InChI=1S/C22H23FN4O2/c23-13-1-2-16-14(5-13)17-19(26-16)15(20(24)28)9-25-21(17)27-18-11-3-10-4-12(18)8-22(29,6-10)7-11/h1-2,5,9-12,18,26,29H,3-4,6-8H2,(H2,24,28)(H,25,27)/t10?,11-,12+,18?,22?