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

Systemtic Name: pyridin-4-ylmethyl 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate Openeye Name: 4-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 pyridin-4-ylmethyl ester IUPAC Name: pyridin-4-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 4-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=CC=NC=C4

Isomeric SMILES

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

InChI

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