methyl 4-[[5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: methyl 4-[[5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: methyl 4-[[5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furoyl]amino]-1-ethyl-pyrazole-3-carboxylic acid methyl ester Formula: C18H20BrN5O4 MolecularWeight: 450.2865

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC)NC(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC)NC(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C18H20BrN5O4/c1-5-23-9-13(16(22-23)18(26)27-4)20-17(25)14-7-6-12(28-14)8-24-11(3)15(19)10(2)21-24/h6-7,9H,5,8H2,1-4H3,(H,20,25)