N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]quinoline-5-carboxamide

Systemtic Name: N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]quinoline-5-carboxamide Openeye Name: N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]quinoline-5-carboxamide CAS Name: N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-5-quinolinecarboxamide IUPAC Name: N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]quinoline-5-carboxamide Traditional Name: N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]quinoline-5-carboxamide Formula: C28H30N4O MolecularWeight: 438.564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCN2CCC3=C(C2)C=CC(=C3)C#N)NC(=O)C4=C5C=CC=NC5=CC=C4

Isomeric SMILES

C1CC(CCC1CCN2CCC3=C(C2)C=CC(=C3)C#N)NC(=O)C4=C5C=CC=NC5=CC=C4

InChI

InChI=1S/C28H30N4O/c29-18-21-6-9-23-19-32(16-13-22(23)17-21)15-12-20-7-10-24(11-8-20)31-28(33)26-3-1-5-27-25(26)4-2-14-30-27/h1-6,9,14,17,20,24H,7-8,10-13,15-16,19H2,(H,31,33)