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

Systemtic Name: methyl 3-[2-[3-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[1-oxo-2-(1-oxo-2-phthalazinyl)ethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[[2-(1-ketophthalazin-2-yl)acetyl]amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C26H19N3O4 MolecularWeight: 437.44676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C26H19N3O4/c1-33-26(32)20-9-4-6-18(14-20)12-13-19-7-5-10-22(15-19)28-24(30)17-29-25(31)23-11-3-2-8-21(23)16-27-29/h2-11,14-16H,17H2,1H3,(H,28,30)