methyl 4-[8-oxidanylidene-7-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-yl]benzoate

Systemtic Name: methyl 4-[8-oxidanylidene-7-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-yl]benzoate Openeye Name: methyl 4-[8-oxo-7-(4-pyridylmethyl)pyrido[2,3-d]pyridazin-5-yl]benzoate CAS Name: 4-[8-oxo-7-(pyridin-4-ylmethyl)-5-pyrido[2,3-d]pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[8-oxo-7-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-yl]benzoate Traditional Name: 4-[8-keto-7-(4-pyridylmethyl)pyrido[2,3-d]pyridazin-5-yl]benzoic acid methyl ester Formula: C21H16N4O3 MolecularWeight: 372.37674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NN(C(=O)C3=C2C=CC=N3)CC4=CC=NC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NN(C(=O)C3=C2C=CC=N3)CC4=CC=NC=C4

InChI

InChI=1S/C21H16N4O3/c1-28-21(27)16-6-4-15(5-7-16)18-17-3-2-10-23-19(17)20(26)25(24-18)13-14-8-11-22-12-9-14/h2-12H,13H2,1H3