1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea Traditional Name: 1-piperonyl-3-[2-(pyrrolidinomethyl)benzyl]urea Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2CNC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2CNC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O3/c25-21(22-12-16-7-8-19-20(11-16)27-15-26-19)23-13-17-5-1-2-6-18(17)14-24-9-3-4-10-24/h1-2,5-8,11H,3-4,9-10,12-15H2,(H2,22,23,25)