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

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

Isomeric SMILES

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

InChI

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