ethyl (3S)-1-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidine-3-carboxylate CAS Name: (3S)-1-[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(4-keto-3H-phthalazin-1-yl)acetyl]nipecotic acid ethyl ester Formula: C18H21N3O4 MolecularWeight: 343.37704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H21N3O4/c1-2-25-18(24)12-6-5-9-21(11-12)16(22)10-15-13-7-3-4-8-14(13)17(23)20-19-15/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,20,23)/t12-/m0/s1