3-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-cyanophenyl)ethyl]-1-ethyl-urea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-cyanophenyl)ethyl]-1-ethyl-urea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-cyanophenyl)ethyl]-1-ethyl-urea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-cyanophenyl)ethyl]-1-ethylurea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-cyanophenyl)ethyl]-1-ethylurea Traditional Name: 1-[1-(4-cyanophenyl)ethyl]-1-ethyl-3-piperonyl-urea Formula: C20H21N3O3 MolecularWeight: 351.39904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C(C)C1=CC=C(C=C1)C#N)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(C(C)C1=CC=C(C=C1)C#N)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H21N3O3/c1-3-23(14(2)17-7-4-15(11-21)5-8-17)20(24)22-12-16-6-9-18-19(10-16)26-13-25-18/h4-10,14H,3,12-13H2,1-2H3,(H,22,24)