3-[5-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[2-(4-bromo-3,5-dimethyl-1-pyrazolyl)ethylamino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethylcarbamoyl]pyrazol-1-yl]propionic acid Formula: C14H18BrN5O3 MolecularWeight: 384.22842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCNC(=O)C2=CC=NN2CCC(=O)O)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCNC(=O)C2=CC=NN2CCC(=O)O)C)Br

InChI

InChI=1S/C14H18BrN5O3/c1-9-13(15)10(2)19(18-9)8-6-16-14(23)11-3-5-17-20(11)7-4-12(21)22/h3,5H,4,6-8H2,1-2H3,(H,16,23)(H,21,22)