2-[2-(phenylcarbonyl)-1H-isoquinolin-1-yl]cyclohexan-1-one

Systemtic Name: 2-[2-(phenylcarbonyl)-1H-isoquinolin-1-yl]cyclohexan-1-one Openeye Name: 2-(2-benzoyl-1H-isoquinolin-1-yl)cyclohexanone CAS Name: 2-(2-benzoyl-1H-isoquinolin-1-yl)-1-cyclohexanone IUPAC Name: 2-(2-benzoyl-1H-isoquinolin-1-yl)cyclohexan-1-one Traditional Name: 2-(2-benzoyl-1H-isoquinolin-1-yl)cyclohexanone Formula: C22H21NO2 MolecularWeight: 331.40764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)C2C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)C(C1)C2C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21NO2/c24-20-13-7-6-12-19(20)21-18-11-5-4-8-16(18)14-15-23(21)22(25)17-9-2-1-3-10-17/h1-5,8-11,14-15,19,21H,6-7,12-13H2