propan-2-yl 4-[[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]carbonylamino]benzoate

Systemtic Name: propan-2-yl 4-[[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]carbonylamino]benzoate Openeye Name: isopropyl 4-[[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]benzoate CAS Name: 4-[[[4-[(4-bromo-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]benzoate Traditional Name: 4-[[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]benzoic acid isopropyl ester Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O3/c1-14(2)28-21(27)17-7-9-19(10-8-17)24-20(26)16-5-3-15(4-6-16)12-25-13-18(22)11-23-25/h3-11,13-14H,12H2,1-2H3,(H,24,26)