propan-2-yl 4-[[1-[(4-bromanyl-2-chloranyl-phenoxy)methyl]pyrazol-3-yl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[[1-[(4-bromanyl-2-chloranyl-phenoxy)methyl]pyrazol-3-yl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[[1-[(4-bromo-2-chloro-phenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[1-[(4-bromo-2-chlorophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[1-[(4-bromo-2-chloro-phenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C20H21BrClN5O4 MolecularWeight: 510.76884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrClN5O4/c1-4-26-10-16(18(25-26)20(29)31-12(2)3)23-19(28)15-7-8-27(24-15)11-30-17-6-5-13(21)9-14(17)22/h5-10,12H,4,11H2,1-3H3,(H,23,28)