1-(1-adamantyl)-7-(dimethylamino)-1-oxidanyl-1-phenyl-hept-5-yn-2-one

Systemtic Name: 1-(1-adamantyl)-7-(dimethylamino)-1-oxidanyl-1-phenyl-hept-5-yn-2-one Openeye Name: 1-(1-adamantyl)-7-(dimethylamino)-1-hydroxy-1-phenyl-hept-5-yn-2-one CAS Name: 1-(1-adamantyl)-7-(dimethylamino)-1-hydroxy-1-phenyl-5-heptyn-2-one IUPAC Name: 1-(1-adamantyl)-7-(dimethylamino)-1-hydroxy-1-phenylhept-5-yn-2-one Traditional Name: 1-(1-adamantyl)-7-(dimethylamino)-1-hydroxy-1-phenyl-hept-5-yn-2-one Formula: C25H33NO2 MolecularWeight: 379.53502

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC#CCCC(=O)C(C1=CC=CC=C1)(C23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

CN(C)CC#CCCC(=O)C(C1=CC=CC=C1)(C23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C25H33NO2/c1-26(2)12-8-4-7-11-23(27)25(28,22-9-5-3-6-10-22)24-16-19-13-20(17-24)15-21(14-19)18-24/h3,5-6,9-10,19-21,28H,7,11-18H2,1-2H3