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

Systemtic Name: (4-acetamidophenyl)methyl 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate Openeye Name: (4-acetamidophenyl)methyl 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-acetamidophenyl)methyl ester IUPAC Name: (4-acetamidophenyl)methyl 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-acetamidobenzyl) ester Formula: C26H28N6O3 MolecularWeight: 472.53892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)COC(=O)N2CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)COC(=O)N2CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H28N6O3/c1-20(33)29-24-8-6-23(7-9-24)18-35-26(34)31-12-10-30(11-13-31)17-25-15-28-19-32(25)16-22-4-2-21(14-27)3-5-22/h2-9,15,19H,10-13,16-18H2,1H3,(H,29,33)