N-[[4-[[2-(4-fluoranylphenoxy)propanoylamino]carbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[[2-(4-fluoranylphenoxy)propanoylamino]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[[2-(4-fluorophenoxy)propanoylamino]carbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[[2-(4-fluorophenoxy)-1-oxopropyl]hydrazo]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[[2-(4-fluorophenoxy)propanoylamino]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[[2-(4-fluorophenoxy)propanoylamino]carbamoyl]benzyl]adamantane-1-carboxamide Formula: C28H32FN3O4 MolecularWeight: 493.569783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)C1=CC=C(C=C1)CNC(=O)C23CC4CC(C2)CC(C4)C3)OC5=CC=C(C=C5)F

Isomeric SMILES

CC(C(=O)NNC(=O)C1=CC=C(C=C1)CNC(=O)C23CC4CC(C2)CC(C4)C3)OC5=CC=C(C=C5)F

InChI

InChI=1S/C28H32FN3O4/c1-17(36-24-8-6-23(29)7-9-24)25(33)31-32-26(34)22-4-2-18(3-5-22)16-30-27(35)28-13-19-10-20(14-28)12-21(11-19)15-28/h2-9,17,19-21H,10-16H2,1H3,(H,30,35)(H,31,33)(H,32,34)