3-[6-[3-(2-azanylethyl)oxiran-2-yl]-4-oxidanylidene-hexyl]-1-methyl-1-(quinolin-2-ylmethyl)urea

Systemtic Name: 3-[6-[3-(2-azanylethyl)oxiran-2-yl]-4-oxidanylidene-hexyl]-1-methyl-1-(quinolin-2-ylmethyl)urea Openeye Name: 3-[6-[3-(2-aminoethyl)oxiran-2-yl]-4-oxo-hexyl]-1-methyl-1-(2-quinolylmethyl)urea CAS Name: 3-[6-[3-(2-aminoethyl)-2-oxiranyl]-4-oxohexyl]-1-methyl-1-(2-quinolinylmethyl)urea IUPAC Name: 3-[6-[3-(2-aminoethyl)oxiran-2-yl]-4-oxohexyl]-1-methyl-1-(quinolin-2-ylmethyl)urea Traditional Name: 3-[6-[3-(2-aminoethyl)oxiran-2-yl]-4-keto-hexyl]-1-methyl-1-(2-quinolylmethyl)urea Formula: C22H30N4O3 MolecularWeight: 398.4986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2C=C1)C(=O)NCCCC(=O)CCC3C(O3)CCN

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2C=C1)C(=O)NCCCC(=O)CCC3C(O3)CCN

InChI

InChI=1S/C22H30N4O3/c1-26(15-17-9-8-16-5-2-3-7-19(16)25-17)22(28)24-14-4-6-18(27)10-11-20-21(29-20)12-13-23/h2-3,5,7-9,20-21H,4,6,10-15,23H2,1H3,(H,24,28)