2-(3,5-dimethylphenoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide

Systemtic Name: 2-(3,5-dimethylphenoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide Openeye Name: 2-(3,5-dimethylphenoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide CAS Name: 2-(3,5-dimethylphenoxy)-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide IUPAC Name: 2-(3,5-dimethylphenoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Traditional Name: 2-(3,5-dimethylphenoxy)-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Formula: C22H26N2O3 MolecularWeight: 366.45344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)COC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)COC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H26N2O3/c1-4-22(26)24-8-7-17-5-6-19(12-18(17)13-24)23-21(25)14-27-20-10-15(2)9-16(3)11-20/h5-6,9-12H,4,7-8,13-14H2,1-3H3,(H,23,25)