N-[2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-5-yl]-3-(2-methylphenyl)propanamide

Systemtic Name: N-[2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-5-yl]-3-(2-methylphenyl)propanamide Openeye Name: N-[2-(2,2-dimethylpropyl)-1-oxo-5-isoquinolyl]-3-(o-tolyl)propanamide CAS Name: N-[2-(2,2-dimethylpropyl)-1-oxo-5-isoquinolinyl]-3-(2-methylphenyl)propanamide IUPAC Name: N-[2-(2,2-dimethylpropyl)-1-oxoisoquinolin-5-yl]-3-(2-methylphenyl)propanamide Traditional Name: N-(1-keto-2-neopentyl-5-isoquinolyl)-3-(o-tolyl)propionamide Formula: C24H28N2O2 MolecularWeight: 376.49132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(=O)NC2=CC=CC3=C2C=CN(C3=O)CC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1CCC(=O)NC2=CC=CC3=C2C=CN(C3=O)CC(C)(C)C

InChI

InChI=1S/C24H28N2O2/c1-17-8-5-6-9-18(17)12-13-22(27)25-21-11-7-10-20-19(21)14-15-26(23(20)28)16-24(2,3)4/h5-11,14-15H,12-13,16H2,1-4H3,(H,25,27)