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

Systemtic Name: ethyl (3S)-3-[(4-fluorophenyl)methyl]-1-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(4-fluorophenyl)methyl]-1-(4-oxo-3H-phthalazine-1-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(4-fluorophenyl)methyl]-1-[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(4-fluorophenyl)methyl]-1-(4-oxo-3H-phthalazine-1-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(4-fluorobenzyl)-1-(4-keto-3H-phthalazine-1-carbonyl)nipecotic acid ethyl ester Formula: C24H24FN3O4 MolecularWeight: 437.463463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=NNC(=O)C3=CC=CC=C32)CC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=NNC(=O)C3=CC=CC=C32)CC4=CC=C(C=C4)F

InChI

InChI=1S/C24H24FN3O4/c1-2-32-23(31)24(14-16-8-10-17(25)11-9-16)12-5-13-28(15-24)22(30)20-18-6-3-4-7-19(18)21(29)27-26-20/h3-4,6-11H,2,5,12-15H2,1H3,(H,27,29)/t24-/m0/s1