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

Systemtic Name: (2-methylphenyl)methyl 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate Openeye Name: o-tolylmethyl 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 (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)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 (2-methylbenzyl) ester Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)N2CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC=CC=C1COC(=O)N2CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)C#N

InChI

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