[(E)-2-[4-[5-(oxidanylcarbamoyl)pyrimidin-2-yl]piperazin-1-yl]-4-phenyl-but-3-enyl] ethanoate

Systemtic Name: [(E)-2-[4-[5-(oxidanylcarbamoyl)pyrimidin-2-yl]piperazin-1-yl]-4-phenyl-but-3-enyl] ethanoate Openeye Name: [(E)-2-[4-[5-(hydroxycarbamoyl)pyrimidin-2-yl]piperazin-1-yl]-4-phenyl-but-3-enyl] acetate CAS Name: acetic acid [(E)-2-[4-[5-[(hydroxyamino)-oxomethyl]-2-pyrimidinyl]-1-piperazinyl]-4-phenylbut-3-enyl] ester IUPAC Name: [(E)-2-[4-[5-(hydroxycarbamoyl)pyrimidin-2-yl]piperazin-1-yl]-4-phenylbut-3-enyl] acetate Traditional Name: acetic acid [(E)-2-[4-[5-(hydroxycarbamoyl)pyrimidin-2-yl]piperazino]-4-phenyl-but-3-enyl] ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C=CC1=CC=CC=C1)N2CCN(CC2)C3=NC=C(C=N3)C(=O)NO

Isomeric SMILES

CC(=O)OCC(/C=C/C1=CC=CC=C1)N2CCN(CC2)C3=NC=C(C=N3)C(=O)NO

InChI

InChI=1S/C21H25N5O4/c1-16(27)30-15-19(8-7-17-5-3-2-4-6-17)25-9-11-26(12-10-25)21-22-13-18(14-23-21)20(28)24-29/h2-8,13-14,19,29H,9-12,15H2,1H3,(H,24,28)/b8-7+