N-[2-[(4-bromophenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[2-[(4-bromophenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-[(4-bromophenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[(4-bromophenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-[(4-bromophenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]-3,4-dimethoxybenzamide Traditional Name: N-[2-(4-bromobenzyl)-3,4-dihydro-1H-isoquinolin-5-yl]-3,4-dimethoxy-benzamide Formula: C25H25BrN2O3 MolecularWeight: 481.3816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2CCN(C3)CC4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2CCN(C3)CC4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C25H25BrN2O3/c1-30-23-11-8-18(14-24(23)31-2)25(29)27-22-5-3-4-19-16-28(13-12-21(19)22)15-17-6-9-20(26)10-7-17/h3-11,14H,12-13,15-16H2,1-2H3,(H,27,29)