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

Systemtic Name: pyridin-3-ylmethyl 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate Openeye Name: 3-pyridylmethyl 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 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 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 3-pyridylmethyl ester Formula: C23H24N6O2 MolecularWeight: 416.47566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)OCC4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)OCC4=CN=CC=C4

InChI

InChI=1S/C23H24N6O2/c24-12-19-3-5-20(6-4-19)15-29-18-26-14-22(29)16-27-8-10-28(11-9-27)23(30)31-17-21-2-1-7-25-13-21/h1-7,13-14,18H,8-11,15-17H2