2-bromanyl-5-methoxy-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide

Systemtic Name: 2-bromanyl-5-methoxy-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: 2-bromo-5-methoxy-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 2-bromo-5-methoxy-N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 2-bromo-5-methoxy-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 2-bromo-N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)-5-methoxy-benzamide Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)OC)Br

Isomeric SMILES

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)OC)Br

InChI

InChI=1S/C21H23BrN2O3/c1-13(2)21(26)24-9-8-14-4-5-16(10-15(14)12-24)23-20(25)18-11-17(27-3)6-7-19(18)22/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,23,25)