ethyl 2-[[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoyl]amino]acetate CAS Name: 2-[[[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]acetate Traditional Name: 2-[[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoyl]amino]acetic acid ethyl ester Formula: C17H20BrN3O3 MolecularWeight: 394.263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C1=CC(=CC=C1)CN2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CCOC(=O)CNC(=O)C1=CC(=CC=C1)CN2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C17H20BrN3O3/c1-4-24-15(22)9-19-17(23)14-7-5-6-13(8-14)10-21-12(3)16(18)11(2)20-21/h5-8H,4,9-10H2,1-3H3,(H,19,23)