6-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-piperazinyl]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Formula: C18H26N4O3 MolecularWeight: 346.42404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CCN(CC2)C(=O)C3CC=CCC3C(=O)O)C

Isomeric SMILES

CC1=NN(C=C1CN2CCN(CC2)C(=O)C3CC=CCC3C(=O)O)C

InChI

InChI=1S/C18H26N4O3/c1-13-14(11-20(2)19-13)12-21-7-9-22(10-8-21)17(23)15-5-3-4-6-16(15)18(24)25/h3-4,11,15-16H,5-10,12H2,1-2H3,(H,24,25)