ethyl 1-[3-(4-ethoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-(4-ethoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-(4-ethoxyphenyl)-4-oxo-phthalazine-1-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[3-(4-ethoxyphenyl)-4-oxo-1-phthalazinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-ethoxyphenyl)-4-oxophthalazine-1-carbonyl]piperidine-3-carboxylate Traditional Name: 1-(4-keto-3-p-phenetyl-phthalazine-1-carbonyl)nipecotic acid ethyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCCC(C4)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCCC(C4)C(=O)OCC

InChI

InChI=1S/C25H27N3O5/c1-3-32-19-13-11-18(12-14-19)28-23(29)21-10-6-5-9-20(21)22(26-28)24(30)27-15-7-8-17(16-27)25(31)33-4-2/h5-6,9-14,17H,3-4,7-8,15-16H2,1-2H3