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

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-quinolinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide Traditional Name: N-(3-chlorobenzyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)cinchoninamide Formula: C26H22ClN3O MolecularWeight: 427.92538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC(=CC=C5)Cl

InChI

InChI=1S/C26H22ClN3O/c27-21-9-5-6-18(14-21)16-28-26(31)23-15-25(29-24-11-4-3-10-22(23)24)30-13-12-19-7-1-2-8-20(19)17-30/h1-11,14-15H,12-13,16-17H2,(H,28,31)