3-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-cyclohexyl-quinoline-4-carboxamide

Systemtic Name: 3-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-cyclohexyl-quinoline-4-carboxamide Openeye Name: 3-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-cyclohexyl-quinoline-4-carboxamide CAS Name: 3-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-cyclohexyl-4-quinolinecarboxamide IUPAC Name: 3-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-cyclohexylquinoline-4-carboxamide Traditional Name: 3-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-cyclohexyl-cinchoninamide Formula: C28H30N4O MolecularWeight: 438.564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC3=CC=CC=C3C(=C2CCN4CCC5=C(C4)C=CC(=C5)C#N)C(=O)N

Isomeric SMILES

C1CCC(CC1)C2=NC3=CC=CC=C3C(=C2CCN4CCC5=C(C4)C=CC(=C5)C#N)C(=O)N

InChI

InChI=1S/C28H30N4O/c29-17-19-10-11-22-18-32(14-12-21(22)16-19)15-13-24-26(28(30)33)23-8-4-5-9-25(23)31-27(24)20-6-2-1-3-7-20/h4-5,8-11,16,20H,1-3,6-7,12-15,18H2,(H2,30,33)