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

Systemtic Name: N-[2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-5-yl]-3-(3-methoxyphenyl)propanamide Openeye Name: N-[2-(2,2-dimethylpropyl)-1-oxo-5-isoquinolyl]-3-(3-methoxyphenyl)propanamide CAS Name: N-[2-(2,2-dimethylpropyl)-1-oxo-5-isoquinolinyl]-3-(3-methoxyphenyl)propanamide IUPAC Name: N-[2-(2,2-dimethylpropyl)-1-oxoisoquinolin-5-yl]-3-(3-methoxyphenyl)propanamide Traditional Name: N-(1-keto-2-neopentyl-5-isoquinolyl)-3-(3-methoxyphenyl)propionamide Formula: C24H28N2O3 MolecularWeight: 392.49072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C=CC2=C(C1=O)C=CC=C2NC(=O)CCC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)(C)CN1C=CC2=C(C1=O)C=CC=C2NC(=O)CCC3=CC(=CC=C3)OC

InChI

InChI=1S/C24H28N2O3/c1-24(2,3)16-26-14-13-19-20(23(26)28)9-6-10-21(19)25-22(27)12-11-17-7-5-8-18(15-17)29-4/h5-10,13-15H,11-12,16H2,1-4H3,(H,25,27)