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

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide Openeye Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Traditional Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O3/c1-4-21(27)25-8-7-16-5-6-18(11-17(16)12-25)24-20(26)13-28-19-9-14(2)22(23)15(3)10-19/h5-6,9-11H,4,7-8,12-13H2,1-3H3,(H,24,26)