N-[1-[4-(3-fluoranylpyridin-4-yl)phenyl]piperidin-3-yl]-4-oxidanyl-adamantane-1-carboxamide

Systemtic Name: N-[1-[4-(3-fluoranylpyridin-4-yl)phenyl]piperidin-3-yl]-4-oxidanyl-adamantane-1-carboxamide Openeye Name: N-[1-[4-(3-fluoro-4-pyridyl)phenyl]-3-piperidyl]-4-hydroxy-adamantane-1-carboxamide CAS Name: N-[1-[4-(3-fluoro-4-pyridinyl)phenyl]-3-piperidinyl]-4-hydroxy-1-adamantanecarboxamide IUPAC Name: N-[1-[4-(3-fluoropyridin-4-yl)phenyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide Traditional Name: N-[1-[4-(3-fluoro-4-pyridyl)phenyl]-3-piperidyl]-4-hydroxy-adamantane-1-carboxamide Formula: C27H32FN3O2 MolecularWeight: 449.560283

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC=C(C=C2)C3=C(C=NC=C3)F)NC(=O)C45CC6CC(C4)C(C(C6)C5)O

Isomeric SMILES

C1CC(CN(C1)C2=CC=C(C=C2)C3=C(C=NC=C3)F)NC(=O)C45CC6CC(C4)C(C(C6)C5)O

InChI

InChI=1S/C27H32FN3O2/c28-24-15-29-8-7-23(24)18-3-5-22(6-4-18)31-9-1-2-21(16-31)30-26(33)27-12-17-10-19(13-27)25(32)20(11-17)14-27/h3-8,15,17,19-21,25,32H,1-2,9-14,16H2,(H,30,33)