ethyl 1-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(4-oxo-3H-phthalazine-1-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-oxo-3H-phthalazine-1-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(4-keto-3H-phthalazine-1-carbonyl)isonipecotic acid ethyl ester Formula: C17H19N3O4 MolecularWeight: 329.35046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H19N3O4/c1-2-24-17(23)11-7-9-20(10-8-11)16(22)14-12-5-3-4-6-13(12)15(21)19-18-14/h3-6,11H,2,7-10H2,1H3,(H,19,21)