[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxo-propyl] 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester IUPAC Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-keto-propyl] ester Formula: C22H17N5O4 MolecularWeight: 415.40148

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C(C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C(C#N)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H17N5O4/c1-2-27-21(29)14-8-4-3-7-13(14)19(26-27)22(30)31-12-18(28)15(11-23)20-24-16-9-5-6-10-17(16)25-20/h3-10,15H,2,12H2,1H3,(H,24,25)