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

Systemtic Name: ethyl (3S)-1-[2-oxidanylidene-2-[(4-oxidanylidene-3H-phthalazin-1-yl)methylamino]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-oxo-2-[(4-oxo-3H-phthalazin-1-yl)methylamino]acetyl]piperidine-3-carboxylate CAS Name: (3S)-1-[1,2-dioxo-2-[(4-oxo-3H-phthalazin-1-yl)methylamino]ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-oxo-2-[(4-oxo-3H-phthalazin-1-yl)methylamino]acetyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-[(4-keto-3H-phthalazin-1-yl)methylamino]acetyl]nipecotic acid ethyl ester Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C(=O)NCC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C(=O)NCC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H22N4O5/c1-2-28-19(27)12-6-5-9-23(11-12)18(26)17(25)20-10-15-13-7-3-4-8-14(13)16(24)22-21-15/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,20,25)(H,22,24)/t12-/m0/s1