1-(1,3-benzodioxol-5-yl)-3-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]urea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]urea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-dimethylaminophenyl)-2-(1-pyrrolidinyl)ethyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ylethyl]urea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-dimethylaminophenyl)-2-pyrrolidino-ethyl]urea Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)NC2=CC3=C(C=C2)OCO3)N4CCCC4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNC(=O)NC2=CC3=C(C=C2)OCO3)N4CCCC4

InChI

InChI=1S/C22H28N4O3/c1-25(2)18-8-5-16(6-9-18)19(26-11-3-4-12-26)14-23-22(27)24-17-7-10-20-21(13-17)29-15-28-20/h5-10,13,19H,3-4,11-12,14-15H2,1-2H3,(H2,23,24,27)