2-[4-[(E)-1-(methylamino)-1-oxidanylidene-4-phenyl-but-3-en-2-yl]piperazin-1-yl]-N-oxidanyl-pyrimidine-5-carboxamide

Systemtic Name: 2-[4-[(E)-1-(methylamino)-1-oxidanylidene-4-phenyl-but-3-en-2-yl]piperazin-1-yl]-N-oxidanyl-pyrimidine-5-carboxamide Openeye Name: (E)-2-[4-[5-(hydroxycarbamoyl)pyrimidin-2-yl]piperazin-1-yl]-N-methyl-4-phenyl-but-3-enamide CAS Name: N-hydroxy-2-[4-[(E)-1-(methylamino)-1-oxo-4-phenylbut-3-en-2-yl]-1-piperazinyl]-5-pyrimidinecarboxamide IUPAC Name: N-hydroxy-2-[4-[(E)-1-(methylamino)-1-oxo-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide Traditional Name: (E)-2-[4-[5-(hydroxycarbamoyl)pyrimidin-2-yl]piperazino]-N-methyl-4-phenyl-but-3-enamide Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6O3/c1-21-19(28)17(8-7-15-5-3-2-4-6-15)25-9-11-26(12-10-25)20-22-13-16(14-23-20)18(27)24-29/h2-8,13-14,17,29H,9-12H2,1H3,(H,21,28)(H,24,27)/b8-7+