1-cyclohexyl-1-oxidanyl-1-phenyl-7-pyrrolidin-1-yl-hept-5-yn-2-one hydrate

Systemtic Name: 1-cyclohexyl-1-oxidanyl-1-phenyl-7-pyrrolidin-1-yl-hept-5-yn-2-one hydrate Openeye Name: 1-cyclohexyl-1-hydroxy-1-phenyl-7-pyrrolidin-1-yl-hept-5-yn-2-one hydrate CAS Name: 1-cyclohexyl-1-hydroxy-1-phenyl-7-(1-pyrrolidinyl)-5-heptyn-2-one hydrate IUPAC Name: 1-cyclohexyl-1-hydroxy-1-phenyl-7-pyrrolidin-1-ylhept-5-yn-2-one hydrate Traditional Name: 1-cyclohexyl-1-hydroxy-1-phenyl-7-pyrrolidino-hept-5-yn-2-one hydrate Formula: C23H33NO3 MolecularWeight: 371.51302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)CCC#CCN3CCCC3)O.O

Isomeric SMILES

C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)CCC#CCN3CCCC3)O.O

InChI

InChI=1S/C23H31NO2.H2O/c25-22(16-8-3-9-17-24-18-10-11-19-24)23(26,20-12-4-1-5-13-20)21-14-6-2-7-15-21;/h1,4-5,12-13,21,26H,2,6-8,10-11,14-19H2;1H2