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

Systemtic Name: propan-2-yl 4-[[1-[(4-bromanylphenoxy)methyl]pyrazol-3-yl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[[1-[(4-bromophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[1-[(4-bromophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[1-[(4-bromophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[1-[(4-bromophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C20H22BrN5O4 MolecularWeight: 476.32378

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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=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN5O4/c1-4-25-11-17(18(24-25)20(28)30-13(2)3)22-19(27)16-9-10-26(23-16)12-29-15-7-5-14(21)6-8-15/h5-11,13H,4,12H2,1-3H3,(H,22,27)