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

Systemtic Name: 7-(tert-butylamino)-1-cyclohexyl-1-oxidanyl-1-phenyl-hept-5-yn-2-one hydrate Openeye Name: 7-(tert-butylamino)-1-cyclohexyl-1-hydroxy-1-phenyl-hept-5-yn-2-one hydrate CAS Name: 7-(tert-butylamino)-1-cyclohexyl-1-hydroxy-1-phenyl-5-heptyn-2-one hydrate IUPAC Name: 7-(tert-butylamino)-1-cyclohexyl-1-hydroxy-1-phenylhept-5-yn-2-one hydrate Traditional Name: 7-(tert-butylamino)-1-cyclohexyl-1-hydroxy-1-phenyl-hept-5-yn-2-one hydrate Formula: C23H35NO3 MolecularWeight: 373.5289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO2.H2O/c1-22(2,3)24-18-12-6-11-17-21(25)23(26,19-13-7-4-8-14-19)20-15-9-5-10-16-20;/h4,7-8,13-14,20,24,26H,5,9-11,15-18H2,1-3H3;1H2