3-[(4-bromanyl-2-chloranyl-phenyl)carbonyl-propan-2-yl-amino]-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-[(4-bromanyl-2-chloranyl-phenyl)carbonyl-propan-2-yl-amino]-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 3-[(4-bromo-2-chloro-benzoyl)-isopropyl-amino]-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 3-[[(4-bromo-2-chlorophenyl)-oxomethyl]-propan-2-ylamino]-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 3-[(4-bromo-2-chlorobenzoyl)-propan-2-ylamino]-1-phenylpyrazole-4-carboxylic acid Traditional Name: 3-[(4-bromo-2-chloro-benzoyl)-isopropyl-amino]-1-phenyl-pyrazole-4-carboxylic acid Formula: C20H17BrClN3O3 MolecularWeight: 462.72428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=NN(C=C1C(=O)O)C2=CC=CC=C2)C(=O)C3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CC(C)N(C1=NN(C=C1C(=O)O)C2=CC=CC=C2)C(=O)C3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C20H17BrClN3O3/c1-12(2)25(19(26)15-9-8-13(21)10-17(15)22)18-16(20(27)28)11-24(23-18)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,27,28)