(phenylmethyl) 4-[[4-(phenylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[4-(phenylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[[4-benzyl-5-[1-(2-pyridyl)-4-piperidyl]-1,2,4-triazol-3-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-(phenylmethyl)-5-[1-(2-pyridinyl)-4-piperidinyl]-1,2,4-triazol-3-yl]methyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[4-benzyl-5-[1-(2-pyridyl)-4-piperidyl]-1,2,4-triazol-3-yl]methyl]piperazine-1-carboxylic acid benzyl ester Formula: C32H37N7O2 MolecularWeight: 551.68188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NN=C(N2CC3=CC=CC=C3)CN4CCN(CC4)C(=O)OCC5=CC=CC=C5)C6=CC=CC=N6

Isomeric SMILES

C1CN(CCC1C2=NN=C(N2CC3=CC=CC=C3)CN4CCN(CC4)C(=O)OCC5=CC=CC=C5)C6=CC=CC=N6

InChI

InChI=1S/C32H37N7O2/c40-32(41-25-27-11-5-2-6-12-27)38-21-19-36(20-22-38)24-30-34-35-31(39(30)23-26-9-3-1-4-10-26)28-14-17-37(18-15-28)29-13-7-8-16-33-29/h1-13,16,28H,14-15,17-25H2