1-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]urea Traditional Name: 1-[4-(diethylaminomethyl)benzyl]-3-piperonyl-urea Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)CNC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)CNC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H27N3O3/c1-3-24(4-2)14-17-7-5-16(6-8-17)12-22-21(25)23-13-18-9-10-19-20(11-18)27-15-26-19/h5-11H,3-4,12-15H2,1-2H3,(H2,22,23,25)