ethyl 4-[1-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-oxidanylidene-2-propyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-oxidanylidene-2-propyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-oxo-2-propyl-pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-oxo-2-propyl-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-oxo-2-propylpyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-(4-keto-6-methyl-1-piperonyl-2-propyl-nicotinoyl)piperazine-1-carboxylic acid ethyl ester Formula: C25H31N3O6 MolecularWeight: 469.53014

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)C=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(=O)C=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C25H31N3O6/c1-4-6-19-23(24(30)26-9-11-27(12-10-26)25(31)32-5-2)20(29)13-17(3)28(19)15-18-7-8-21-22(14-18)34-16-33-21/h7-8,13-14H,4-6,9-12,15-16H2,1-3H3