2-[4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]piperazino]acetic acid Formula: C12H19ClN4O2 MolecularWeight: 286.75786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCN(CC2)CC(=O)O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCN(CC2)CC(=O)O)Cl)C

InChI

InChI=1S/C12H19ClN4O2/c1-9-10(12(13)15(2)14-9)7-16-3-5-17(6-4-16)8-11(18)19/h3-8H2,1-2H3,(H,18,19)