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

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

C1CCC(CC1)(CCN2CCC3=C(C2)C=CC(=C3)C#N)NC(=O)C4=CC=CC(=C4)C5=CN=CN=C5

Isomeric SMILES

C1CCC(CC1)(CCN2CCC3=C(C2)C=CC(=C3)C#N)NC(=O)C4=CC=CC(=C4)C5=CN=CN=C5

InChI

InChI=1S/C29H31N5O/c30-17-22-7-8-26-20-34(13-9-24(26)15-22)14-12-29(10-2-1-3-11-29)33-28(35)25-6-4-5-23(16-25)27-18-31-21-32-19-27/h4-8,15-16,18-19,21H,1-3,9-14,20H2,(H,33,35)