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

Systemtic Name: 5-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propylcarbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propylcarbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propylamino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propylcarbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C14H18BrN5O3 MolecularWeight: 384.22842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCNC(=O)C2=C(C=NN2C)C(=O)O)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCCNC(=O)C2=C(C=NN2C)C(=O)O)C)Br

InChI

InChI=1S/C14H18BrN5O3/c1-8-11(15)9(2)20(18-8)6-4-5-16-13(21)12-10(14(22)23)7-17-19(12)3/h7H,4-6H2,1-3H3,(H,16,21)(H,22,23)