methyl 2-[1-[(2-oxidanylidene-1H-pyrazin-3-yl)methyl]piperidin-4-yl]benzenecarboperoxoate

Systemtic Name: methyl 2-[1-[(2-oxidanylidene-1H-pyrazin-3-yl)methyl]piperidin-4-yl]benzenecarboperoxoate Openeye Name: methyl 2-[1-[(2-oxo-1H-pyrazin-3-yl)methyl]-4-piperidyl]benzenecarboperoxoate CAS Name: 2-[1-[(2-oxo-1H-pyrazin-3-yl)methyl]-4-piperidinyl]benzenecarboperoxoic acid methyl ester IUPAC Name: methyl 2-[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]benzenecarboperoxoate Traditional Name: 2-[1-[(2-keto-1H-pyrazin-3-yl)methyl]-4-piperidyl]benzenecarboperoxoic acid methyl ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

COOC(=O)C1=CC=CC=C1C2CCN(CC2)CC3=NC=CNC3=O

Isomeric SMILES

COOC(=O)C1=CC=CC=C1C2CCN(CC2)CC3=NC=CNC3=O

InChI

InChI=1S/C18H21N3O4/c1-24-25-18(23)15-5-3-2-4-14(15)13-6-10-21(11-7-13)12-16-17(22)20-9-8-19-16/h2-5,8-9,13H,6-7,10-12H2,1H3,(H,20,22)