3-[5-[3-(2-azanylethyl)oxiran-2-yl]-1-cyano-3-oxidanylidene-pentyl]-1-methyl-1-(quinolin-2-ylmethyl)urea

Systemtic Name: 3-[5-[3-(2-azanylethyl)oxiran-2-yl]-1-cyano-3-oxidanylidene-pentyl]-1-methyl-1-(quinolin-2-ylmethyl)urea Openeye Name: 3-[5-[3-(2-aminoethyl)oxiran-2-yl]-1-cyano-3-oxo-pentyl]-1-methyl-1-(2-quinolylmethyl)urea CAS Name: 3-[5-[3-(2-aminoethyl)-2-oxiranyl]-1-cyano-3-oxopentyl]-1-methyl-1-(2-quinolinylmethyl)urea IUPAC Name: 3-[5-[3-(2-aminoethyl)oxiran-2-yl]-1-cyano-3-oxopentyl]-1-methyl-1-(quinolin-2-ylmethyl)urea Traditional Name: 3-[5-[3-(2-aminoethyl)oxiran-2-yl]-1-cyano-3-keto-pentyl]-1-methyl-1-(2-quinolylmethyl)urea Formula: C22H27N5O3 MolecularWeight: 409.48148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2C=C1)C(=O)NC(CC(=O)CCC3C(O3)CCN)C#N

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2C=C1)C(=O)NC(CC(=O)CCC3C(O3)CCN)C#N

InChI

InChI=1S/C22H27N5O3/c1-27(14-16-7-6-15-4-2-3-5-19(15)25-16)22(29)26-17(13-24)12-18(28)8-9-20-21(30-20)10-11-23/h2-7,17,20-21H,8-12,14,23H2,1H3,(H,26,29)