2-(3-cyanophenyl)-1,3,6-tris(oxidanylidene)-N-(phenylmethyl)-5H-[1,2,4]triazolo[1,2-a]pyridazine-8-carboxamide

Systemtic Name: 2-(3-cyanophenyl)-1,3,6-tris(oxidanylidene)-N-(phenylmethyl)-5H-[1,2,4]triazolo[1,2-a]pyridazine-8-carboxamide Openeye Name: N-benzyl-2-(3-cyanophenyl)-1,3,6-trioxo-5H-[1,2,4]triazolo[1,2-a]pyridazine-8-carboxamide CAS Name: 2-(3-cyanophenyl)-1,3,6-trioxo-N-(phenylmethyl)-5H-[1,2,4]triazolo[1,2-a]pyridazine-8-carboxamide IUPAC Name: N-benzyl-2-(3-cyanophenyl)-1,3,6-trioxo-5H-[1,2,4]triazolo[1,2-a]pyridazine-8-carboxamide Traditional Name: N-benzyl-2-(3-cyanophenyl)-1,3,6-triketo-5H-[1,2,4]triazolo[1,2-a]pyridazine-8-carboxamide Formula: C21H15N5O4 MolecularWeight: 401.3749

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C=C(N2N1C(=O)N(C2=O)C3=CC=CC(=C3)C#N)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1C(=O)C=C(N2N1C(=O)N(C2=O)C3=CC=CC(=C3)C#N)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C21H15N5O4/c22-11-15-7-4-8-16(9-15)25-20(29)24-13-17(27)10-18(26(24)21(25)30)19(28)23-12-14-5-2-1-3-6-14/h1-10H,12-13H2,(H,23,28)