1-cyclohexyl-7-[di(propan-2-yl)amino]-1-oxidanyl-1-phenyl-hept-5-yn-2-one hydrate

Systemtic Name: 1-cyclohexyl-7-[di(propan-2-yl)amino]-1-oxidanyl-1-phenyl-hept-5-yn-2-one hydrate Openeye Name: 1-cyclohexyl-7-(diisopropylamino)-1-hydroxy-1-phenyl-hept-5-yn-2-one hydrate CAS Name: 1-cyclohexyl-7-[di(propan-2-yl)amino]-1-hydroxy-1-phenyl-5-heptyn-2-one hydrate IUPAC Name: 1-cyclohexyl-7-[di(propan-2-yl)amino]-1-hydroxy-1-phenylhept-5-yn-2-one hydrate Traditional Name: 1-cyclohexyl-7-(diisopropylamino)-1-hydroxy-1-phenyl-hept-5-yn-2-one hydrate Formula: C25H39NO3 MolecularWeight: 401.58206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37NO2.H2O/c1-20(2)26(21(3)4)19-13-7-12-18-24(27)25(28,22-14-8-5-9-15-22)23-16-10-6-11-17-23;/h5,8-9,14-15,20-21,23,28H,6,10-12,16-19H2,1-4H3;1H2