[5-[[4-(piperidin-1-ylmethyl)phenyl]carbonylamino]pyridin-2-yl] 4-pyridin-2-ylpiperazine-1-carboxylate

Systemtic Name: [5-[[4-(piperidin-1-ylmethyl)phenyl]carbonylamino]pyridin-2-yl] 4-pyridin-2-ylpiperazine-1-carboxylate Openeye Name: [5-[[4-(1-piperidylmethyl)benzoyl]amino]-2-pyridyl] 4-(2-pyridyl)piperazine-1-carboxylate CAS Name: 4-(2-pyridinyl)-1-piperazinecarboxylic acid [5-[[oxo-[4-(1-piperidinylmethyl)phenyl]methyl]amino]-2-pyridinyl] ester IUPAC Name: [5-[[4-(piperidin-1-ylmethyl)benzoyl]amino]pyridin-2-yl] 4-pyridin-2-ylpiperazine-1-carboxylate Traditional Name: 4-(2-pyridyl)piperazine-1-carboxylic acid [5-[[4-(piperidinomethyl)benzoyl]amino]-2-pyridyl] ester Formula: C28H32N6O3 MolecularWeight: 500.59208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CN=C(C=C3)OC(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CN=C(C=C3)OC(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C28H32N6O3/c35-27(23-9-7-22(8-10-23)21-32-14-4-1-5-15-32)31-24-11-12-26(30-20-24)37-28(36)34-18-16-33(17-19-34)25-6-2-3-13-29-25/h2-3,6-13,20H,1,4-5,14-19,21H2,(H,31,35)