methyl 3-[2-[3-[2-(1-phenylpyrazol-4-yl)ethanoylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[2-(1-phenylpyrazol-4-yl)ethanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[1-oxo-2-(1-phenyl-4-pyrazolyl)ethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C27H21N3O3 MolecularWeight: 435.47394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H21N3O3/c1-33-27(32)23-9-5-7-20(15-23)13-14-21-8-6-10-24(16-21)29-26(31)17-22-18-28-30(19-22)25-11-3-2-4-12-25/h2-12,15-16,18-19H,17H2,1H3,(H,29,31)