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

Systemtic Name: 2-bromanyl-5-methoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 2-bromo-5-methoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide CAS Name: 2-bromo-5-methoxy-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 2-bromo-5-methoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Traditional Name: 2-bromo-5-methoxy-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O3/c1-3-19(24)23-9-8-13-4-5-15(10-14(13)12-23)22-20(25)17-11-16(26-2)6-7-18(17)21/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,22,25)