methyl 4-[(1-oxidanylidene-4-pyridin-3-yl-phthalazin-2-yl)methyl]benzoate

Systemtic Name: methyl 4-[(1-oxidanylidene-4-pyridin-3-yl-phthalazin-2-yl)methyl]benzoate Openeye Name: methyl 4-[[1-oxo-4-(3-pyridyl)phthalazin-2-yl]methyl]benzoate CAS Name: 4-[[1-oxo-4-(3-pyridinyl)-2-phthalazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-oxo-4-pyridin-3-ylphthalazin-2-yl)methyl]benzoate Traditional Name: 4-[[1-keto-4-(3-pyridyl)phthalazin-2-yl]methyl]benzoic acid methyl ester Formula: C22H17N3O3 MolecularWeight: 371.38868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CN=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CN=CC=C4

InChI

InChI=1S/C22H17N3O3/c1-28-22(27)16-10-8-15(9-11-16)14-25-21(26)19-7-3-2-6-18(19)20(24-25)17-5-4-12-23-13-17/h2-13H,14H2,1H3