6-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Formula: C19H28N4O3 MolecularWeight: 360.45062

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CN2CCN(CC2)C(=O)C3CC=CCC3C(=O)O)C

Isomeric SMILES

CCN1C(=C(C=N1)CN2CCN(CC2)C(=O)C3CC=CCC3C(=O)O)C

InChI

InChI=1S/C19H28N4O3/c1-3-23-14(2)15(12-20-23)13-21-8-10-22(11-9-21)18(24)16-6-4-5-7-17(16)19(25)26/h4-5,12,16-17H,3,6-11,13H2,1-2H3,(H,25,26)