4-bromanyl-N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-bromanyl-N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]benzamide Openeye Name: 4-bromo-N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]benzamide CAS Name: 4-bromo-N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]benzamide IUPAC Name: 4-bromo-N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]benzamide Traditional Name: 4-bromo-N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]benzamide Formula: C21H23BrN2O4 MolecularWeight: 447.32232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CCNC(=O)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CCNC(=O)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C21H23BrN2O4/c1-27-18-11-15-8-10-24(13-16(15)12-19(18)28-2)20(25)7-9-23-21(26)14-3-5-17(22)6-4-14/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)