ethyl 1-[3-(3,5-dimethoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(3,5-dimethoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-(3,5-dimethoxyphenyl)-4-oxo-phthalazine-1-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[3-(3,5-dimethoxyphenyl)-4-oxo-1-phthalazinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[3-(3,5-dimethoxyphenyl)-4-keto-phthalazine-1-carbonyl]isonipecotic acid ethyl ester Formula: C25H27N3O6 MolecularWeight: 465.49838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C25H27N3O6/c1-4-34-25(31)16-9-11-27(12-10-16)24(30)22-20-7-5-6-8-21(20)23(29)28(26-22)17-13-18(32-2)15-19(14-17)33-3/h5-8,13-16H,4,9-12H2,1-3H3