2-[(4-bromophenyl)carbonylamino]-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide

Systemtic Name: 2-[(4-bromophenyl)carbonylamino]-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide Openeye Name: 2-[(4-bromobenzoyl)amino]-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide IUPAC Name: 2-[(4-bromobenzoyl)amino]-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide Traditional Name: 2-[(4-bromobenzoyl)amino]-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide Formula: C27H28BrN3O4 MolecularWeight: 538.43292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CCNC(=O)C3=CC=CC=C3NC(=O)C4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CCNC(=O)C3=CC=CC=C3NC(=O)C4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C27H28BrN3O4/c1-34-24-15-19-11-13-31(17-20(19)16-25(24)35-2)14-12-29-27(33)22-5-3-4-6-23(22)30-26(32)18-7-9-21(28)10-8-18/h3-10,15-16H,11-14,17H2,1-2H3,(H,29,33)(H,30,32)