[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C17H16N4O4 MolecularWeight: 340.33334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H16N4O4/c18-10-17(7-3-4-8-17)19-13(22)9-25-16(24)14-11-5-1-2-6-12(11)15(23)21-20-14/h1-2,5-6H,3-4,7-9H2,(H,19,22)(H,21,23)