1-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-3-phenethyl-urea

Systemtic Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-3-phenethyl-urea Openeye Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-3-phenethyl-urea CAS Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)-3-pyrrolidinyl]methyl]-3-phenethylurea IUPAC Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-3-phenethylurea Traditional Name: 1-phenethyl-3-[(1-piperonylpyrrolidin-3-yl)methyl]urea Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1CNC(=O)NCCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC1CNC(=O)NCCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O3/c26-22(23-10-8-17-4-2-1-3-5-17)24-13-19-9-11-25(15-19)14-18-6-7-20-21(12-18)28-16-27-20/h1-7,12,19H,8-11,13-16H2,(H2,23,24,26)