(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-[(4-bromophenyl)carbonylamino]ethanoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-[(4-bromophenyl)carbonylamino]ethanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-[(4-bromobenzoyl)amino]acetate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]acetic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 2-[(4-bromobenzoyl)amino]acetate Traditional Name: 2-[(4-bromobenzoyl)amino]acetic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C21H17BrN4O3 MolecularWeight: 453.28868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)CNC(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)CNC(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C21H17BrN4O3/c1-14-18(11-23)19(26(25-14)17-5-3-2-4-6-17)13-29-20(27)12-24-21(28)15-7-9-16(22)10-8-15/h2-10H,12-13H2,1H3,(H,24,28)