1-cyclohexyl-7-[ethyl(methyl)amino]-1-oxidanyl-1-phenyl-hept-5-yn-2-one hydrate

Systemtic Name: 1-cyclohexyl-7-[ethyl(methyl)amino]-1-oxidanyl-1-phenyl-hept-5-yn-2-one hydrate Openeye Name: 1-cyclohexyl-7-[ethyl(methyl)amino]-1-hydroxy-1-phenyl-hept-5-yn-2-one hydrate CAS Name: 1-cyclohexyl-7-[ethyl(methyl)amino]-1-hydroxy-1-phenyl-5-heptyn-2-one hydrate IUPAC Name: 1-cyclohexyl-7-[ethyl(methyl)amino]-1-hydroxy-1-phenylhept-5-yn-2-one hydrate Traditional Name: 1-cyclohexyl-7-[ethyl(methyl)amino]-1-hydroxy-1-phenyl-hept-5-yn-2-one hydrate Formula: C22H33NO3 MolecularWeight: 359.50232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO2.H2O/c1-3-23(2)18-12-6-11-17-21(24)22(25,19-13-7-4-8-14-19)20-15-9-5-10-16-20;/h4,7-8,13-14,20,25H,3,5,9-11,15-18H2,1-2H3;1H2