methyl 3-[2-[3-(pyrazin-2-ylcarbonylamino)phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-(pyrazin-2-ylcarbonylamino)phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-(pyrazine-2-carbonylamino)phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[oxo(2-pyrazinyl)methyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(pyrazine-2-carbonylamino)phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-(pyrazinoylamino)phenyl]ethynyl]benzoic acid methyl ester Formula: C21H15N3O3 MolecularWeight: 357.3621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O3/c1-27-21(26)17-6-2-4-15(12-17)8-9-16-5-3-7-18(13-16)24-20(25)19-14-22-10-11-23-19/h2-7,10-14H,1H3,(H,24,25)