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

Systemtic Name: ethyl 1-(4-oxidanylidene-3H-phthalazin-1-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(4-oxo-3H-phthalazin-1-yl)piperidine-4-carboxylate CAS Name: 1-(4-oxo-3H-phthalazin-1-yl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-oxo-3H-phthalazin-1-yl)piperidine-4-carboxylate Traditional Name: 1-(4-keto-3H-phthalazin-1-yl)isonipecotic acid ethyl ester Formula: C16H19N3O3 MolecularWeight: 301.34036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3/c1-2-22-16(21)11-7-9-19(10-8-11)14-12-5-3-4-6-13(12)15(20)18-17-14/h3-6,11H,2,7-10H2,1H3,(H,18,20)