1-[(4-cyanophenyl)methyl]-2-ethoxy-5-ethyl-5-iodanyl-4-(1H-pyrazol-4-yl)piperidine-3,3-dicarboxamide

Systemtic Name: 1-[(4-cyanophenyl)methyl]-2-ethoxy-5-ethyl-5-iodanyl-4-(1H-pyrazol-4-yl)piperidine-3,3-dicarboxamide Openeye Name: 1-[(4-cyanophenyl)methyl]-2-ethoxy-5-ethyl-5-iodo-4-(1H-pyrazol-4-yl)piperidine-3,3-dicarboxamide CAS Name: 1-[(4-cyanophenyl)methyl]-2-ethoxy-5-ethyl-5-iodo-4-(1H-pyrazol-4-yl)piperidine-3,3-dicarboxamide IUPAC Name: 1-[(4-cyanophenyl)methyl]-2-ethoxy-5-ethyl-5-iodo-4-(1H-pyrazol-4-yl)piperidine-3,3-dicarboxamide Traditional Name: 1-(4-cyanobenzyl)-2-ethoxy-5-ethyl-5-iodo-4-(1H-pyrazol-4-yl)piperidine-3,3-dicarboxamide Formula: C22H27IN6O3 MolecularWeight: 550.39265

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CN(C(C(C1C2=CNN=C2)(C(=O)N)C(=O)N)OCC)CC3=CC=C(C=C3)C#N)I

Isomeric SMILES

CCC1(CN(C(C(C1C2=CNN=C2)(C(=O)N)C(=O)N)OCC)CC3=CC=C(C=C3)C#N)I

InChI

InChI=1S/C22H27IN6O3/c1-3-21(23)13-29(12-15-7-5-14(9-24)6-8-15)20(32-4-2)22(18(25)30,19(26)31)17(21)16-10-27-28-11-16/h5-8,10-11,17,20H,3-4,12-13H2,1-2H3,(H2,25,30)(H2,26,31)(H,27,28)