3-(3-isoquinolin-4-ylphenyl)-2-methyl-cyclohex-2-en-1-one

Systemtic Name: 3-(3-isoquinolin-4-ylphenyl)-2-methyl-cyclohex-2-en-1-one Openeye Name: 3-[3-(4-isoquinolyl)phenyl]-2-methyl-cyclohex-2-en-1-one CAS Name: 3-[3-(4-isoquinolinyl)phenyl]-2-methyl-1-cyclohex-2-enone IUPAC Name: 3-(3-isoquinolin-4-ylphenyl)-2-methylcyclohex-2-en-1-one Traditional Name: 3-[3-(4-isoquinolyl)phenyl]-2-methyl-cyclohex-2-en-1-one Formula: C22H19NO MolecularWeight: 313.39236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CCCC1=O)C2=CC=CC(=C2)C3=CN=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(CCCC1=O)C2=CC=CC(=C2)C3=CN=CC4=CC=CC=C43

InChI

InChI=1S/C22H19NO/c1-15-19(10-5-11-22(15)24)16-7-4-8-17(12-16)21-14-23-13-18-6-2-3-9-20(18)21/h2-4,6-9,12-14H,5,10-11H2,1H3