ethyl 5-[[3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[3-(4-bromo-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C19H20BrN5O3 MolecularWeight: 446.2978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C(C)CN3C=C(C=N3)Br

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C(C)CN3C=C(C=N3)Br

InChI

InChI=1S/C19H20BrN5O3/c1-3-28-19(27)16-10-22-25(15-7-5-4-6-8-15)17(16)23-18(26)13(2)11-24-12-14(20)9-21-24/h4-10,12-13H,3,11H2,1-2H3,(H,23,26)