(phenylmethyl) 4-[5-(1,3-benzodioxol-5-ylcarbonylamino)pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[5-(1,3-benzodioxol-5-ylcarbonylamino)pyridin-2-yl]piperazine-1-carboxylate Openeye Name: benzyl 4-[5-(1,3-benzodioxole-5-carbonylamino)-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-2-pyridinyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[5-(1,3-benzodioxole-5-carbonylamino)pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(piperonyloylamino)-2-pyridyl]piperazine-1-carboxylic acid benzyl ester Formula: C25H24N4O5 MolecularWeight: 460.48186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C25H24N4O5/c30-24(19-6-8-21-22(14-19)34-17-33-21)27-20-7-9-23(26-15-20)28-10-12-29(13-11-28)25(31)32-16-18-4-2-1-3-5-18/h1-9,14-15H,10-13,16-17H2,(H,27,30)