3-[8-[3-(4-azanylbutyl)oxiran-2-yl]-4-oxidanylidene-octyl]-1-methyl-1-(pyridin-2-ylmethyl)urea

Systemtic Name: 3-[8-[3-(4-azanylbutyl)oxiran-2-yl]-4-oxidanylidene-octyl]-1-methyl-1-(pyridin-2-ylmethyl)urea Openeye Name: 3-[8-[3-(4-aminobutyl)oxiran-2-yl]-4-oxo-octyl]-1-methyl-1-(2-pyridylmethyl)urea CAS Name: 3-[8-[3-(4-aminobutyl)-2-oxiranyl]-4-oxooctyl]-1-methyl-1-(2-pyridinylmethyl)urea IUPAC Name: 3-[8-[3-(4-aminobutyl)oxiran-2-yl]-4-oxooctyl]-1-methyl-1-(pyridin-2-ylmethyl)urea Traditional Name: 3-[8-[3-(4-aminobutyl)oxiran-2-yl]-4-keto-octyl]-1-methyl-1-(2-pyridylmethyl)urea Formula: C22H36N4O3 MolecularWeight: 404.54624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=N1)C(=O)NCCCC(=O)CCCCC2C(O2)CCCCN

Isomeric SMILES

CN(CC1=CC=CC=N1)C(=O)NCCCC(=O)CCCCC2C(O2)CCCCN

InChI

InChI=1S/C22H36N4O3/c1-26(17-18-9-5-7-15-24-18)22(28)25-16-8-11-19(27)10-2-3-12-20-21(29-20)13-4-6-14-23/h5,7,9,15,20-21H,2-4,6,8,10-14,16-17,23H2,1H3,(H,25,28)