(phenylmethyl) 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-2,5-dimethyl-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-2,5-dimethyl-piperazine-1-carboxylate Openeye Name: benzyl 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-2,5-dimethyl-piperazine-1-carboxylate CAS Name: 4-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methyl]-2,5-dimethyl-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-2,5-dimethylpiperazine-1-carboxylate Traditional Name: 4-[[3-(4-cyanobenzyl)imidazol-4-yl]methyl]-2,5-dimethyl-piperazine-1-carboxylic acid benzyl ester Formula: C26H29N5O2 MolecularWeight: 443.54076

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)OCC2=CC=CC=C2)C)CC3=CN=CN3CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1CN(C(CN1C(=O)OCC2=CC=CC=C2)C)CC3=CN=CN3CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H29N5O2/c1-20-15-31(26(32)33-18-24-6-4-3-5-7-24)21(2)14-29(20)17-25-13-28-19-30(25)16-23-10-8-22(12-27)9-11-23/h3-11,13,19-21H,14-18H2,1-2H3