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

Systemtic Name: N2-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-N1-cyclohexyl-4-phenethyl-piperazine-1,2-dicarboxamide Openeye Name: N2-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-N1-cyclohexyl-4-phenethyl-piperazine-1,2-dicarboxamide CAS Name: N2-[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]ethyl]-N1-cyclohexyl-4-phenethylpiperazine-1,2-dicarboxamide IUPAC Name: 2-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-N-cyclohexyl-4-phenethylpiperazine-1,2-dicarboxamide Traditional Name: N'-[2-[3-(4-cyanobenzyl)imidazol-4-yl]ethyl]-N-cyclohexyl-4-phenethyl-piperazine-1,2-dicarboxamide Formula: C33H41N7O2 MolecularWeight: 567.72434

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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)CCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)N2CCN(CC2C(=O)NCCC3=CN=CN3CC4=CC=C(C=C4)C#N)CCC5=CC=CC=C5

InChI

InChI=1S/C33H41N7O2/c34-21-27-11-13-28(14-12-27)23-39-25-35-22-30(39)15-17-36-32(41)31-24-38(18-16-26-7-3-1-4-8-26)19-20-40(31)33(42)37-29-9-5-2-6-10-29/h1,3-4,7-8,11-14,22,25,29,31H,2,5-6,9-10,15-20,23-24H2,(H,36,41)(H,37,42)