2-[1H-indol-3-yl(pyridin-2-yl)methyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[1H-indol-3-yl(pyridin-2-yl)methyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 3-hydroxy-2-[1H-indol-3-yl(2-pyridyl)methyl]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-hydroxy-2-[1H-indol-3-yl(2-pyridinyl)methyl]-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 3-hydroxy-2-[1H-indol-3-yl(pyridin-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-hydroxy-2-[1H-indol-3-yl(2-pyridyl)methyl]-5,5-dimethyl-cyclohex-2-en-1-one Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(C2=CC=CC=N2)C3=CNC4=CC=CC=C43)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(C2=CC=CC=N2)C3=CNC4=CC=CC=C43)O)C

InChI

InChI=1S/C22H22N2O2/c1-22(2)11-18(25)21(19(26)12-22)20(17-9-5-6-10-23-17)15-13-24-16-8-4-3-7-14(15)16/h3-10,13,20,24-25H,11-12H2,1-2H3