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

Systemtic Name: methyl 3-[8-oxidanylidene-7-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-yl]benzoate Openeye Name: methyl 3-[8-oxo-7-(4-pyridylmethyl)pyrido[2,3-d]pyridazin-5-yl]benzoate CAS Name: 3-[8-oxo-7-(pyridin-4-ylmethyl)-5-pyrido[2,3-d]pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 3-[8-oxo-7-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-yl]benzoate Traditional Name: 3-[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=CC(=C1)C2=NN(C(=O)C3=C2C=CC=N3)CC4=CC=NC=C4

Isomeric SMILES

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

InChI

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