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

Systemtic Name: ethyl 6-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxopiperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-(3-keto-4-piperonyl-piperazino)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(C(=O)C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCN(C(=O)C2)CC3=CC4=C(C=C3)OCO4

InChI

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