(4-nitrophenyl) 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate

Systemtic Name: (4-nitrophenyl) 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate Openeye Name: (4-nitrophenyl) 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate CAS Name: 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-1-piperazinecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylic acid (4-nitrophenyl) ester Formula: C23H22N6O4 MolecularWeight: 446.45858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(CC2=CC=C(C=C2)C#N)C3=CN=CN3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(CC2=CC=C(C=C2)C#N)C3=CN=CN3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N6O4/c24-14-18-3-1-17(2-4-18)13-22(21-15-25-16-26-21)27-9-11-28(12-10-27)23(30)33-20-7-5-19(6-8-20)29(31)32/h1-8,15-16,22H,9-13H2,(H,25,26)