1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(dimethylamino)pyridin-3-yl]methyl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(dimethylamino)pyridin-3-yl]methyl]urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(dimethylamino)-3-pyridyl]methyl]urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(dimethylamino)-3-pyridinyl]methyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(dimethylamino)pyridin-3-yl]methyl]urea Traditional Name: 1-[[6-(dimethylamino)-3-pyridyl]methyl]-3-piperonyl-urea Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=C(C=C1)CNC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(C)C1=NC=C(C=C1)CNC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H20N4O3/c1-21(2)16-6-4-13(9-18-16)10-20-17(22)19-8-12-3-5-14-15(7-12)24-11-23-14/h3-7,9H,8,10-11H2,1-2H3,(H2,19,20,22)