ethyl (3S)-1-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(3-methyl-4-oxo-phthalazine-1-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(3-methyl-4-oxophthalazine-1-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-keto-3-methyl-phthalazine-1-carbonyl)nipecotic acid ethyl ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C18H21N3O4/c1-3-25-18(24)12-7-6-10-21(11-12)17(23)15-13-8-4-5-9-14(13)16(22)20(2)19-15/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3/t12-/m0/s1