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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)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)16-8-7-11-27(15-16)24(30)22-20-9-5-6-10-21(20)23(29)28(26-22)17-12-18(32-2)14-19(13-17)33-3/h5-6,9-10,12-14,16H,4,7-8,11,15H2,1-3H3