3-[4-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[(E)-3-(1-methylpyrazol-4-yl)acryloyl]piperazino]propionic acid Formula: C14H20N4O3 MolecularWeight: 292.3336

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)N2CCN(CC2)CCC(=O)O

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)N2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C14H20N4O3/c1-16-11-12(10-15-16)2-3-13(19)18-8-6-17(7-9-18)5-4-14(20)21/h2-3,10-11H,4-9H2,1H3,(H,20,21)/b3-2+