2-[4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxo-ethyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-keto-ethyl]piperazino]acetic acid Formula: C13H21N5O3 MolecularWeight: 295.33754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NC(=O)CN2CCN(CC2)CC(=O)O

Isomeric SMILES

CC1=C(C(=NN1)C)NC(=O)CN2CCN(CC2)CC(=O)O

InChI

InChI=1S/C13H21N5O3/c1-9-13(10(2)16-15-9)14-11(19)7-17-3-5-18(6-4-17)8-12(20)21/h3-8H2,1-2H3,(H,14,19)(H,15,16)(H,20,21)