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

Systemtic Name: methyl 6-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-piperazin-1-yl]pyridine-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 6-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxopiperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-(3-keto-4-piperonyl-piperazino)nicotinic acid methyl ester Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5/c1-25-19(24)14-3-5-17(20-9-14)21-6-7-22(18(23)11-21)10-13-2-4-15-16(8-13)27-12-26-15/h2-5,8-9H,6-7,10-12H2,1H3