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

Systemtic Name: 2-[4-[(E)-4-(3-fluorophenyl)-1-oxidanyl-but-3-en-2-yl]piperazin-1-yl]-N-oxidanyl-pyrimidine-5-carboxamide Openeye Name: 2-[4-[(E)-3-(3-fluorophenyl)-1-(hydroxymethyl)allyl]piperazin-1-yl]pyrimidine-5-carbohydroxamic acid CAS Name: 2-[4-[(E)-4-(3-fluorophenyl)-1-hydroxybut-3-en-2-yl]-1-piperazinyl]-N-hydroxy-5-pyrimidinecarboxamide IUPAC Name: 2-[4-[(E)-4-(3-fluorophenyl)-1-hydroxybut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide Traditional Name: 2-[4-[(E)-3-(3-fluorophenyl)-1-methylol-allyl]piperazino]pyrimidine-5-carbohydroxamic acid Formula: C19H22FN5O3 MolecularWeight: 387.408083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=N2)C(=O)NO)C(CO)C=CC3=CC(=CC=C3)F

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=N2)C(=O)NO)C(CO)/C=C/C3=CC(=CC=C3)F

InChI

InChI=1S/C19H22FN5O3/c20-16-3-1-2-14(10-16)4-5-17(13-26)24-6-8-25(9-7-24)19-21-11-15(12-22-19)18(27)23-28/h1-5,10-12,17,26,28H,6-9,13H2,(H,23,27)/b5-4+