methyl 3-[5-oxidanylidene-6-(phenylmethyl)pyrido[2,3-d]pyridazin-8-yl]benzoate

Systemtic Name: methyl 3-[5-oxidanylidene-6-(phenylmethyl)pyrido[2,3-d]pyridazin-8-yl]benzoate Openeye Name: methyl 3-(6-benzyl-5-oxo-pyrido[2,3-d]pyridazin-8-yl)benzoate CAS Name: 3-[5-oxo-6-(phenylmethyl)-8-pyrido[2,3-d]pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 3-(6-benzyl-5-oxopyrido[2,3-d]pyridazin-8-yl)benzoate Traditional Name: 3-(6-benzyl-5-keto-pyrido[2,3-d]pyridazin-8-yl)benzoic acid methyl ester Formula: C22H17N3O3 MolecularWeight: 371.38868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C2=NN(C(=O)C3=C2N=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C2=NN(C(=O)C3=C2N=CC=C3)CC4=CC=CC=C4

InChI

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