[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-ethoxypyridin-3-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-ethoxypyridin-3-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-ethoxy-3-pyridyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(6-ethoxy-3-pyridinyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-ethoxypyridin-3-yl)methanone Traditional Name: (6-ethoxy-3-pyridyl)-(4-piperonylpiperazino)methanone Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=NC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N3O4/c1-2-25-19-6-4-16(12-21-19)20(24)23-9-7-22(8-10-23)13-15-3-5-17-18(11-15)27-14-26-17/h3-6,11-12H,2,7-10,13-14H2,1H3