[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethanoate

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethanoate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)acetate CAS Name: 2-(4-bromo-3,5-dimethyl-1-pyrazolyl)acetic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetate Traditional Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)acetic acid [2-keto-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C17H20BrN3O3 MolecularWeight: 394.263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)COC(=O)CN2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)COC(=O)CN2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C17H20BrN3O3/c1-11-4-6-14(7-5-11)8-19-15(22)10-24-16(23)9-21-13(3)17(18)12(2)20-21/h4-7H,8-10H2,1-3H3,(H,19,22)