1-cyclohexyl-7-(methylamino)-1-oxidanyl-1-phenyl-hept-5-yn-2-one hydrate

Systemtic Name: 1-cyclohexyl-7-(methylamino)-1-oxidanyl-1-phenyl-hept-5-yn-2-one hydrate Openeye Name: 1-cyclohexyl-1-hydroxy-7-(methylamino)-1-phenyl-hept-5-yn-2-one hydrate CAS Name: 1-cyclohexyl-1-hydroxy-7-(methylamino)-1-phenyl-5-heptyn-2-one hydrate IUPAC Name: 1-cyclohexyl-1-hydroxy-7-(methylamino)-1-phenylhept-5-yn-2-one hydrate Traditional Name: 1-cyclohexyl-1-hydroxy-7-(methylamino)-1-phenyl-hept-5-yn-2-one hydrate Formula: C20H29NO3 MolecularWeight: 331.44916

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Descriptors Computed from Structure

Canonical SMILES:

CNCC#CCCC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.O

Isomeric SMILES

CNCC#CCCC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.O

InChI

InChI=1S/C20H27NO2.H2O/c1-21-16-10-4-9-15-19(22)20(23,17-11-5-2-6-12-17)18-13-7-3-8-14-18;/h2,5-6,11-12,18,21,23H,3,7-9,13-16H2,1H3;1H2