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

Systemtic Name: 1-cyclohexyl-7-[methyl-(phenylmethyl)amino]-1-oxidanyl-1-phenyl-hept-5-yn-2-one Openeye Name: 7-[benzyl(methyl)amino]-1-cyclohexyl-1-hydroxy-1-phenyl-hept-5-yn-2-one CAS Name: 1-cyclohexyl-1-hydroxy-7-[methyl-(phenylmethyl)amino]-1-phenyl-5-heptyn-2-one IUPAC Name: 7-[benzyl(methyl)amino]-1-cyclohexyl-1-hydroxy-1-phenylhept-5-yn-2-one Traditional Name: 7-[benzyl(methyl)amino]-1-cyclohexyl-1-hydroxy-1-phenyl-hept-5-yn-2-one Formula: C27H33NO2 MolecularWeight: 403.55642

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC#CCCC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O)CC3=CC=CC=C3

Isomeric SMILES

CN(CC#CCCC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O)CC3=CC=CC=C3

InChI

InChI=1S/C27H33NO2/c1-28(22-23-14-6-2-7-15-23)21-13-5-12-20-26(29)27(30,24-16-8-3-9-17-24)25-18-10-4-11-19-25/h2-3,6-9,14-17,25,30H,4,10-12,18-22H2,1H3