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

Systemtic Name: 3-[5-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propylamino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propionic acid Formula: C15H20BrN5O3 MolecularWeight: 398.255

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCNC(=O)C2=CC=NN2CCC(=O)O)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCCNC(=O)C2=CC=NN2CCC(=O)O)C)Br

InChI

InChI=1S/C15H20BrN5O3/c1-10-14(16)11(2)20(19-10)8-3-6-17-15(24)12-4-7-18-21(12)9-5-13(22)23/h4,7H,3,5-6,8-9H2,1-2H3,(H,17,24)(H,22,23)