(4-nitrophenyl) 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate

Systemtic Name: (4-nitrophenyl) 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate Openeye Name: (4-nitrophenyl) 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methyl]-1-piperazinecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[3-(4-cyanobenzyl)imidazol-4-yl]methyl]piperazine-1-carboxylic acid (4-nitrophenyl) ester Formula: C23H22N6O4 MolecularWeight: 446.45858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

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