1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(dimethylamino)pyridin-4-yl]methyl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(dimethylamino)pyridin-4-yl]methyl]urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(dimethylamino)-4-pyridyl]methyl]urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(dimethylamino)pyridin-4-yl]methyl]urea Traditional Name: 1-[[2-(dimethylamino)-4-pyridyl]methyl]-3-piperonyl-urea Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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