1-cyclohexyl-1-oxidanyl-1-phenyl-7-(propan-2-ylamino)hept-5-yn-2-one hydrate

Systemtic Name: 1-cyclohexyl-1-oxidanyl-1-phenyl-7-(propan-2-ylamino)hept-5-yn-2-one hydrate Openeye Name: 1-cyclohexyl-1-hydroxy-7-(isopropylamino)-1-phenyl-hept-5-yn-2-one hydrate CAS Name: 1-cyclohexyl-1-hydroxy-1-phenyl-7-(propan-2-ylamino)-5-heptyn-2-one hydrate IUPAC Name: 1-cyclohexyl-1-hydroxy-1-phenyl-7-(propan-2-ylamino)hept-5-yn-2-one hydrate Traditional Name: 1-cyclohexyl-1-hydroxy-7-(isopropylamino)-1-phenyl-hept-5-yn-2-one hydrate Formula: C22H33NO3 MolecularWeight: 359.50232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO2.H2O/c1-18(2)23-17-11-5-10-16-21(24)22(25,19-12-6-3-7-13-19)20-14-8-4-9-15-20;/h3,6-7,12-13,18,20,23,25H,4,8-10,14-17H2,1-2H3;1H2