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

Systemtic Name: 3-[8-[3-(4-azanylbutyl)oxiran-2-yl]-4-oxidanylidene-octyl]-1-methyl-1-(quinolin-2-ylmethyl)urea Openeye Name: 3-[8-[3-(4-aminobutyl)oxiran-2-yl]-4-oxo-octyl]-1-methyl-1-(2-quinolylmethyl)urea CAS Name: 3-[8-[3-(4-aminobutyl)-2-oxiranyl]-4-oxooctyl]-1-methyl-1-(2-quinolinylmethyl)urea IUPAC Name: 3-[8-[3-(4-aminobutyl)oxiran-2-yl]-4-oxooctyl]-1-methyl-1-(quinolin-2-ylmethyl)urea Traditional Name: 3-[8-[3-(4-aminobutyl)oxiran-2-yl]-4-keto-octyl]-1-methyl-1-(2-quinolylmethyl)urea Formula: C26H38N4O3 MolecularWeight: 454.60492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2C=C1)C(=O)NCCCC(=O)CCCCC3C(O3)CCCCN

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2C=C1)C(=O)NCCCC(=O)CCCCC3C(O3)CCCCN

InChI

InChI=1S/C26H38N4O3/c1-30(19-21-16-15-20-9-2-4-12-23(20)29-21)26(32)28-18-8-11-22(31)10-3-5-13-24-25(33-24)14-6-7-17-27/h2,4,9,12,15-16,24-25H,3,5-8,10-11,13-14,17-19,27H2,1H3,(H,28,32)