2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenylbutyl)quinoline-4-carboxamide

Systemtic Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenylbutyl)quinoline-4-carboxamide Openeye Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenylbutyl)quinoline-4-carboxamide CAS Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenylbutyl)-4-quinolinecarboxamide IUPAC Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenylbutyl)quinoline-4-carboxamide Traditional Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenylbutyl)cinchoninamide Formula: C31H33N3O3 MolecularWeight: 495.61202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=NC4=CC=CC=C4C(=C3)C(=O)NCCCCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=NC4=CC=CC=C4C(=C3)C(=O)NCCCCC5=CC=CC=C5)OC

InChI

InChI=1S/C31H33N3O3/c1-36-28-18-23-15-17-34(21-24(23)19-29(28)37-2)30-20-26(25-13-6-7-14-27(25)33-30)31(35)32-16-9-8-12-22-10-4-3-5-11-22/h3-7,10-11,13-14,18-20H,8-9,12,15-17,21H2,1-2H3,(H,32,35)