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

Systemtic Name: methyl 2-methyl-5-[8-oxidanylidene-7-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-yl]benzoate Openeye Name: methyl 2-methyl-5-[8-oxo-7-(4-pyridylmethyl)pyrido[2,3-d]pyridazin-5-yl]benzoate CAS Name: 2-methyl-5-[8-oxo-7-(pyridin-4-ylmethyl)-5-pyrido[2,3-d]pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-5-[8-oxo-7-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-yl]benzoate Traditional Name: 5-[8-keto-7-(4-pyridylmethyl)pyrido[2,3-d]pyridazin-5-yl]-2-methyl-benzoic acid methyl ester Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=C2C=CC=N3)CC4=CC=NC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=C2C=CC=N3)CC4=CC=NC=C4)C(=O)OC

InChI

InChI=1S/C22H18N4O3/c1-14-5-6-16(12-18(14)22(28)29-2)19-17-4-3-9-24-20(17)21(27)26(25-19)13-15-7-10-23-11-8-15/h3-12H,13H2,1-2H3