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

Systemtic Name: N-cyclohexyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide Openeye Name: N-cyclohexyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide CAS Name: N-cyclohexyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-quinolinecarboxamide IUPAC Name: N-cyclohexyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide Traditional Name: N-cyclohexyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)cinchoninamide Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5CCCCC5)OC

InChI

InChI=1S/C27H31N3O3/c1-32-24-14-18-12-13-30(17-19(18)15-25(24)33-2)26-16-22(21-10-6-7-11-23(21)29-26)27(31)28-20-8-4-3-5-9-20/h6-7,10-11,14-16,20H,3-5,8-9,12-13,17H2,1-2H3,(H,28,31)