propan-2-yl 4-[[3-[(4-bromanylphenoxy)methyl]phenyl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[[3-[(4-bromanylphenoxy)methyl]phenyl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[[3-[(4-bromophenoxy)methyl]benzoyl]amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[3-[(4-bromophenoxy)methyl]phenyl]-oxomethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[3-[(4-bromophenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[3-[(4-bromophenoxy)methyl]benzoyl]amino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C23H24BrN3O4 MolecularWeight: 486.35836

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC(=CC=C2)COC3=CC=C(C=C3)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC(=CC=C2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H24BrN3O4/c1-4-27-13-20(21(26-27)23(29)31-15(2)3)25-22(28)17-7-5-6-16(12-17)14-30-19-10-8-18(24)9-11-19/h5-13,15H,4,14H2,1-3H3,(H,25,28)