3-[3-(2-cyanoethyl)phenyl]-1,1-dimethyl-urea

Systemtic Name: 3-[3-(2-cyanoethyl)phenyl]-1,1-dimethyl-urea Openeye Name: 3-[3-(2-cyanoethyl)phenyl]-1,1-dimethyl-urea CAS Name: 3-[3-(2-cyanoethyl)phenyl]-1,1-dimethylurea IUPAC Name: 3-[3-(2-cyanoethyl)phenyl]-1,1-dimethylurea Traditional Name: 3-[3-(2-cyanoethyl)phenyl]-1,1-dimethyl-urea Formula: C12H15N3O MolecularWeight: 217.267

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NC1=CC=CC(=C1)CCC#N

Isomeric SMILES

CN(C)C(=O)NC1=CC=CC(=C1)CCC#N

InChI

InChI=1S/C12H15N3O/c1-15(2)12(16)14-11-7-3-5-10(9-11)6-4-8-13/h3,5,7,9H,4,6H2,1-2H3,(H,14,16)