N-[(4-chlorophenyl)methyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-quinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide Traditional Name: N-(4-chlorobenzyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)cinchoninamide Formula: C28H26ClN3O3 MolecularWeight: 487.97734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC=C(C=C5)Cl)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC=C(C=C5)Cl)OC

InChI

InChI=1S/C28H26ClN3O3/c1-34-25-13-19-11-12-32(17-20(19)14-26(25)35-2)27-15-23(22-5-3-4-6-24(22)31-27)28(33)30-16-18-7-9-21(29)10-8-18/h3-10,13-15H,11-12,16-17H2,1-2H3,(H,30,33)