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

Systemtic Name: ethyl 1-(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(4-oxo-3-propyl-phthalazine-1-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-oxo-3-propylphthalazine-1-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(4-keto-3-propyl-phthalazine-1-carbonyl)isonipecotic acid ethyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C20H25N3O4/c1-3-11-23-18(24)16-8-6-5-7-15(16)17(21-23)19(25)22-12-9-14(10-13-22)20(26)27-4-2/h5-8,14H,3-4,9-13H2,1-2H3