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

Systemtic Name: 4-[8-oxidanylidene-7-(phenylmethyl)pyrido[2,3-d]pyridazin-5-yl]benzoic acid Openeye Name: 4-(7-benzyl-8-oxo-pyrido[2,3-d]pyridazin-5-yl)benzoic acid CAS Name: 4-[8-oxo-7-(phenylmethyl)-5-pyrido[2,3-d]pyridazinyl]benzoic acid IUPAC Name: 4-(7-benzyl-8-oxopyrido[2,3-d]pyridazin-5-yl)benzoic acid Traditional Name: 4-(7-benzyl-8-keto-pyrido[2,3-d]pyridazin-5-yl)benzoic acid Formula: C21H15N3O3 MolecularWeight: 357.3621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC=N3)C(=N2)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC=N3)C(=N2)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H15N3O3/c25-20-19-17(7-4-12-22-19)18(15-8-10-16(11-9-15)21(26)27)23-24(20)13-14-5-2-1-3-6-14/h1-12H,13H2,(H,26,27)