(E)-3-[5-(4-ethanoylpiperazin-1-yl)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-(4-ethanoylpiperazin-1-yl)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-(4-acetylpiperazin-1-yl)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[5-(4-acetyl-1-piperazinyl)-1,3-dimethyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[5-(4-acetylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-(4-acetylpiperazino)-1,3-dimethyl-pyrazol-4-yl]acrylic acid Formula: C14H20N4O3 MolecularWeight: 292.3336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)O)N2CCN(CC2)C(=O)C)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)O)N2CCN(CC2)C(=O)C)C

InChI

InChI=1S/C14H20N4O3/c1-10-12(4-5-13(20)21)14(16(3)15-10)18-8-6-17(7-9-18)11(2)19/h4-5H,6-9H2,1-3H3,(H,20,21)/b5-4+