ethyl 5-[2-(4-bromanylpyrazol-1-yl)butanoylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-(4-bromanylpyrazol-1-yl)butanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-(4-bromo-1-pyrazolyl)-1-oxobutyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C19H20BrN5O3 MolecularWeight: 446.2978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC)N3C=C(C=N3)Br

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC)N3C=C(C=N3)Br

InChI

InChI=1S/C19H20BrN5O3/c1-3-16(24-12-13(20)10-21-24)18(26)23-17-15(19(27)28-4-2)11-22-25(17)14-8-6-5-7-9-14/h5-12,16H,3-4H2,1-2H3,(H,23,26)