N2-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-N1-cyclohexyl-4-pyridin-4-ylcarbonyl-piperazine-1,2-dicarboxamide

Systemtic Name: N2-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-N1-cyclohexyl-4-pyridin-4-ylcarbonyl-piperazine-1,2-dicarboxamide Openeye Name: N2-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-N1-cyclohexyl-4-(pyridine-4-carbonyl)piperazine-1,2-dicarboxamide CAS Name: N2-[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]ethyl]-N1-cyclohexyl-4-[oxo(pyridin-4-yl)methyl]piperazine-1,2-dicarboxamide IUPAC Name: 2-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-N-cyclohexyl-4-(pyridine-4-carbonyl)piperazine-1,2-dicarboxamide Traditional Name: N'-[2-[3-(4-cyanobenzyl)imidazol-4-yl]ethyl]-N-cyclohexyl-4-isonicotinoyl-piperazine-1,2-dicarboxamide Formula: C31H36N8O3 MolecularWeight: 568.66934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2CCN(CC2C(=O)NCCC3=CN=CN3CC4=CC=C(C=C4)C#N)C(=O)C5=CC=NC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)N2CCN(CC2C(=O)NCCC3=CN=CN3CC4=CC=C(C=C4)C#N)C(=O)C5=CC=NC=C5

InChI

InChI=1S/C31H36N8O3/c32-18-23-6-8-24(9-7-23)20-38-22-34-19-27(38)12-15-35-29(40)28-21-37(30(41)25-10-13-33-14-11-25)16-17-39(28)31(42)36-26-4-2-1-3-5-26/h6-11,13-14,19,22,26,28H,1-5,12,15-17,20-21H2,(H,35,40)(H,36,42)