4-[5-[1-(2-oxidanylethanoyl)piperidin-4-yl]-4-pyrimidin-4-yl-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[5-[1-(2-oxidanylethanoyl)piperidin-4-yl]-4-pyrimidin-4-yl-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-[1-(2-hydroxyacetyl)-4-piperidyl]-4-pyrimidin-4-yl-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5-[1-(2-hydroxy-1-oxoethyl)-4-piperidinyl]-4-(4-pyrimidinyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-pyrimidin-4-yl-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[5-(1-glycoloyl-4-piperidyl)-4-(4-pyrimidyl)-3-pyrazolin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=C(C(=C3C=CC(=O)C=C3)NN2)C4=NC=NC=C4)C(=O)CO

Isomeric SMILES

C1CN(CCC1C2=C(C(=C3C=CC(=O)C=C3)NN2)C4=NC=NC=C4)C(=O)CO

InChI

InChI=1S/C20H21N5O3/c26-11-17(28)25-9-6-14(7-10-25)20-18(16-5-8-21-12-22-16)19(23-24-20)13-1-3-15(27)4-2-13/h1-5,8,12,14,23-24,26H,6-7,9-11H2