ethyl 6-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-(4-piperonyloylpiperazino)nicotinic acid ethyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21N3O5/c1-2-26-20(25)15-4-6-18(21-12-15)22-7-9-23(10-8-22)19(24)14-3-5-16-17(11-14)28-13-27-16/h3-6,11-12H,2,7-10,13H2,1H3