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

Systemtic Name: 1-[6-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]pyridin-3-yl]-3-ethyl-urea Openeye Name: 1-[6-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-pyridyl]-3-ethyl-urea CAS Name: 1-[6-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-3-pyridinyl]-3-ethylurea IUPAC Name: 1-[6-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]pyridin-3-yl]-3-ethylurea Traditional Name: 1-ethyl-3-[6-(4-piperonyloylpiperazino)-3-pyridyl]urea Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCNC(=O)NC1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N5O4/c1-2-21-20(27)23-15-4-6-18(22-12-15)24-7-9-25(10-8-24)19(26)14-3-5-16-17(11-14)29-13-28-16/h3-6,11-12H,2,7-10,13H2,1H3,(H2,21,23,27)