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

Systemtic Name: (phenylmethyl) 4-[[3-[(4-cyanophenyl)methyl]-2-methyl-imidazol-4-yl]methyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[[3-[(4-cyanophenyl)methyl]-2-methyl-imidazol-4-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-[(4-cyanophenyl)methyl]-2-methyl-4-imidazolyl]methyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[3-[(4-cyanophenyl)methyl]-2-methylimidazol-4-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[3-(4-cyanobenzyl)-2-methyl-imidazol-4-yl]methyl]piperazine-1-carboxylic acid benzyl ester Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC2=CC=C(C=C2)C#N)CN3CCN(CC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=NC=C(N1CC2=CC=C(C=C2)C#N)CN3CCN(CC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27N5O2/c1-20-27-16-24(30(20)17-22-9-7-21(15-26)8-10-22)18-28-11-13-29(14-12-28)25(31)32-19-23-5-3-2-4-6-23/h2-10,16H,11-14,17-19H2,1H3