[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-1-phenyl-ethyl] 2,5-dimethylpiperazine-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(CN1C(=O)OC(CC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC=CC=C4)C

Isomeric SMILES

CC1CNC(CN1C(=O)OC(CC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC=CC=C4)C

InChI

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