methyl 3-[2-[3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C28H23N3O3 MolecularWeight: 449.50052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC3=CC=CC(=C3)C#CC4=CC(=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC3=CC=CC(=C3)C#CC4=CC(=CC=C4)C(=O)OC

InChI

InChI=1S/C28H23N3O3/c1-19-26(20(2)31(30-19)25-13-5-4-6-14-25)27(32)29-24-12-8-10-22(18-24)16-15-21-9-7-11-23(17-21)28(33)34-3/h4-14,17-18H,1-3H3,(H,29,32)