ethyl 5-[3-(4-bromanyl-5-methyl-pyrazol-1-yl)propanoylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[3-(4-bromanyl-5-methyl-pyrazol-1-yl)propanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[3-(4-bromo-5-methyl-pyrazol-1-yl)propanoylamino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[3-(4-bromo-5-methyl-1-pyrazolyl)-1-oxopropyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[3-(4-bromo-5-methyl-pyrazol-1-yl)propanoylamino]-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)CCN3C(=C(C=N3)Br)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CCN3C(=C(C=N3)Br)C

InChI

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