4-oxidanylidene-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phthalazine-1-carboxamide Openeye Name: 4-oxo-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phthalazine-1-carboxamide CAS Name: 4-oxo-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phthalazine-1-carboxamide Traditional Name: 4-keto-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phthalazine-1-carboxamide Formula: C22H16N6O2 MolecularWeight: 396.40144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC4=NN=C5N4C=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC4=NN=C5N4C=CC=C5

InChI

InChI=1S/C22H16N6O2/c29-21(23-14-19-25-24-18-12-6-7-13-27(18)19)20-16-10-4-5-11-17(16)22(30)28(26-20)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,29)