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

Systemtic Name: 5-[[4-bromanyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[[4-bromo-1-(m-tolylmethyl)pyrazol-3-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[[4-bromo-1-[(3-methylphenyl)methyl]-3-pyrazolyl]amino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[[4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[[4-bromo-1-(3-methylbenzyl)pyrazol-3-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C17H16BrN5O3 MolecularWeight: 418.24464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=C(C(=N2)NC(=O)C3=C(C=NN3C)C(=O)O)Br

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C(=N2)NC(=O)C3=C(C=NN3C)C(=O)O)Br

InChI

InChI=1S/C17H16BrN5O3/c1-10-4-3-5-11(6-10)8-23-9-13(18)15(21-23)20-16(24)14-12(17(25)26)7-19-22(14)2/h3-7,9H,8H2,1-2H3,(H,25,26)(H,20,21,24)