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

Systemtic Name: 1-cyclohexyl-7-[methyl(propan-2-yl)amino]-1-oxidanyl-1-phenyl-hept-5-yn-2-one hydrate Openeye Name: 1-cyclohexyl-1-hydroxy-7-[isopropyl(methyl)amino]-1-phenyl-hept-5-yn-2-one hydrate CAS Name: 1-cyclohexyl-1-hydroxy-7-[methyl(propan-2-yl)amino]-1-phenyl-5-heptyn-2-one hydrate IUPAC Name: 1-cyclohexyl-1-hydroxy-7-[methyl(propan-2-yl)amino]-1-phenylhept-5-yn-2-one hydrate Traditional Name: 1-cyclohexyl-1-hydroxy-7-[isopropyl(methyl)amino]-1-phenyl-hept-5-yn-2-one hydrate Formula: C23H35NO3 MolecularWeight: 373.5289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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