ethanoyl 2-(4-methylpiperazin-1-yl)-2-[1-(1,2,4-triazol-1-yl)propan-2-yl]pentaneperoxoate

Systemtic Name: ethanoyl 2-(4-methylpiperazin-1-yl)-2-[1-(1,2,4-triazol-1-yl)propan-2-yl]pentaneperoxoate Openeye Name: acetyl 2-(4-methylpiperazin-1-yl)-2-[1-methyl-2-(1,2,4-triazol-1-yl)ethyl]pentaneperoxoate CAS Name: 2-(4-methyl-1-piperazinyl)-2-[1-(1,2,4-triazol-1-yl)propan-2-yl]pentaneperoxoic acid acetyl ester IUPAC Name: acetyl 2-(4-methylpiperazin-1-yl)-2-[1-(1,2,4-triazol-1-yl)propan-2-yl]pentaneperoxoate Traditional Name: 2-(4-methylpiperazino)-2-[1-methyl-2-(1,2,4-triazol-1-yl)ethyl]peroxyvaleric acid acetyl ester Formula: C17H29N5O4 MolecularWeight: 367.44326

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)CN1C=NC=N1)(C(=O)OOC(=O)C)N2CCN(CC2)C

Isomeric SMILES

CCCC(C(C)CN1C=NC=N1)(C(=O)OOC(=O)C)N2CCN(CC2)C

InChI

InChI=1S/C17H29N5O4/c1-5-6-17(16(24)26-25-15(3)23,21-9-7-20(4)8-10-21)14(2)11-22-13-18-12-19-22/h12-14H,5-11H2,1-4H3