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

Systemtic Name: 5-[[1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[[1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[[1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-3,5-dimethyl-4-pyrazolyl]amino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[[1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C17H20BrN7O3 MolecularWeight: 450.2898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C(=C(C(=N2)C)Br)C)C)NC(=O)C3=C(C=NN3C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1CN2C(=C(C(=N2)C)Br)C)C)NC(=O)C3=C(C=NN3C)C(=O)O

InChI

InChI=1S/C17H20BrN7O3/c1-8-13(18)10(3)24(21-8)7-25-11(4)14(9(2)22-25)20-16(26)15-12(17(27)28)6-19-23(15)5/h6H,7H2,1-5H3,(H,20,26)(H,27,28)