3-[2,4-bis(bromanyl)phenyl]-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea

Systemtic Name: 3-[2,4-bis(bromanyl)phenyl]-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea Openeye Name: 1-(2-cyanoethyl)-3-(2,4-dibromophenyl)-1-(3-pyridylmethyl)urea CAS Name: 1-(2-cyanoethyl)-3-(2,4-dibromophenyl)-1-(3-pyridinylmethyl)urea IUPAC Name: 1-(2-cyanoethyl)-3-(2,4-dibromophenyl)-1-(pyridin-3-ylmethyl)urea Traditional Name: 1-(2-cyanoethyl)-3-(2,4-dibromophenyl)-1-(3-pyridylmethyl)urea Formula: C16H14Br2N4O MolecularWeight: 438.11656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCC#N)C(=O)NC2=C(C=C(C=C2)Br)Br

Isomeric SMILES

C1=CC(=CN=C1)CN(CCC#N)C(=O)NC2=C(C=C(C=C2)Br)Br

InChI

InChI=1S/C16H14Br2N4O/c17-13-4-5-15(14(18)9-13)21-16(23)22(8-2-6-19)11-12-3-1-7-20-10-12/h1,3-5,7,9-10H,2,8,11H2,(H,21,23)