2-(4-chloranyl-3-methyl-phenoxy)-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]ethanamide

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]ethanamide Openeye Name: 2-(4-chloro-3-methyl-phenoxy)-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide CAS Name: 2-(4-chloro-3-methylphenoxy)-N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide IUPAC Name: 2-(4-chloro-3-methylphenoxy)-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide Traditional Name: 2-(4-chloro-3-methyl-phenoxy)-N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC2=CC3=C(CCN(C3)C(=O)C(C)C)C=C2)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC2=CC3=C(CCN(C3)C(=O)C(C)C)C=C2)Cl

InChI

InChI=1S/C22H25ClN2O3/c1-14(2)22(27)25-9-8-16-4-5-18(11-17(16)12-25)24-21(26)13-28-19-6-7-20(23)15(3)10-19/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,24,26)