ethyl 4-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[3-(4-bromophenyl)-1-phenyl-pyrazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(4-bromophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[3-(4-bromophenyl)-1-phenyl-pyrazole-4-carbonyl]amino]benzoic acid ethyl ester Formula: C25H20BrN3O3 MolecularWeight: 490.3486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C25H20BrN3O3/c1-2-32-25(31)18-10-14-20(15-11-18)27-24(30)22-16-29(21-6-4-3-5-7-21)28-23(22)17-8-12-19(26)13-9-17/h3-16H,2H2,1H3,(H,27,30)