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

Systemtic Name: N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-pyrimidin-5-yl-benzamide Openeye Name: N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-pyrimidin-5-yl-benzamide CAS Name: N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-(5-pyrimidinyl)benzamide IUPAC Name: N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-pyrimidin-5-ylbenzamide Traditional Name: N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-(5-pyrimidyl)benzamide Formula: C29H31N5O MolecularWeight: 465.58934

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCN2CCC3=C(C2)C=CC(=C3)C#N)NC(=O)C4=CC=CC(=C4)C5=CN=CN=C5

Isomeric SMILES

C1CC(CCC1CCN2CCC3=C(C2)C=CC(=C3)C#N)NC(=O)C4=CC=CC(=C4)C5=CN=CN=C5

InChI

InChI=1S/C29H31N5O/c30-16-22-4-7-26-19-34(13-11-24(26)14-22)12-10-21-5-8-28(9-6-21)33-29(35)25-3-1-2-23(15-25)27-17-31-20-32-18-27/h1-4,7,14-15,17-18,20-21,28H,5-6,8-13,19H2,(H,33,35)