phenyl 2-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]pent-4-eneperoxoate

Systemtic Name: phenyl 2-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]pent-4-eneperoxoate Openeye Name: phenyl 2-methyl-3-[[4-(4-pyridyl)piperazin-1-yl]methyl]pent-4-eneperoxoate CAS Name: 2-methyl-3-[(4-pyridin-4-yl-1-piperazinyl)methyl]-4-penteneperoxoic acid phenyl ester IUPAC Name: phenyl 2-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]pent-4-eneperoxoate Traditional Name: 2-methyl-3-[[4-(4-pyridyl)piperazino]methyl]pent-4-eneperoxoic acid phenyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1CCN(CC1)C2=CC=NC=C2)C=C)C(=O)OOC3=CC=CC=C3

Isomeric SMILES

CC(C(CN1CCN(CC1)C2=CC=NC=C2)C=C)C(=O)OOC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c1-3-19(18(2)22(26)28-27-21-7-5-4-6-8-21)17-24-13-15-25(16-14-24)20-9-11-23-12-10-20/h3-12,18-19H,1,13-17H2,2H3