N-(3-chloranyl-4-cyano-phenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide CAS Name: N-(3-chloro-4-cyanophenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propionamide Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CCC(=O)NC3=CC(=C(C=C3)C#N)Cl)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CCC(=O)NC3=CC(=C(C=C3)C#N)Cl)OC

InChI

InChI=1S/C21H22ClN3O3/c1-27-19-9-14-5-7-25(13-16(14)10-20(19)28-2)8-6-21(26)24-17-4-3-15(12-23)18(22)11-17/h3-4,9-11H,5-8,13H2,1-2H3,(H,24,26)