N-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-N-(4-iodophenyl)ethanamide

Systemtic Name: N-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-N-(4-iodophenyl)ethanamide Openeye Name: N-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-N-(4-iodophenyl)acetamide CAS Name: N-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-N-(4-iodophenyl)acetamide IUPAC Name: N-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-N-(4-iodophenyl)acetamide Traditional Name: N-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-N-(4-iodophenyl)acetamide Formula: C26H30IN3O MolecularWeight: 527.44037

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=C(C=C1)I)C2(CCCCC2)CCN3CCC4=C(C3)C=CC(=C4)C#N

Isomeric SMILES

CC(=O)N(C1=CC=C(C=C1)I)C2(CCCCC2)CCN3CCC4=C(C3)C=CC(=C4)C#N

InChI

InChI=1S/C26H30IN3O/c1-20(31)30(25-9-7-24(27)8-10-25)26(12-3-2-4-13-26)14-16-29-15-11-22-17-21(18-28)5-6-23(22)19-29/h5-10,17H,2-4,11-16,19H2,1H3