2-[2-(4-bromophenyl)carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanamide

Systemtic Name: 2-[2-(4-bromophenyl)carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanamide Openeye Name: 2-[2-(4-bromobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetamide CAS Name: 2-[2-[(4-bromophenyl)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetamide IUPAC Name: 2-[2-(4-bromobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetamide Traditional Name: 2-[2-(4-bromobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetamide Formula: C20H21BrN2O4 MolecularWeight: 433.29574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=C(C=C3)Br)CC(=O)N)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=C(C=C3)Br)CC(=O)N)OC

InChI

InChI=1S/C20H21BrN2O4/c1-26-17-9-13-7-8-23(20(25)12-3-5-14(21)6-4-12)16(11-19(22)24)15(13)10-18(17)27-2/h3-6,9-10,16H,7-8,11H2,1-2H3,(H2,22,24)