3-butyl-1-(2-cyanoethyl)-1-phenyl-urea

Systemtic Name: 3-butyl-1-(2-cyanoethyl)-1-phenyl-urea Openeye Name: 3-butyl-1-(2-cyanoethyl)-1-phenyl-urea CAS Name: 3-butyl-1-(2-cyanoethyl)-1-phenylurea IUPAC Name: 3-butyl-1-(2-cyanoethyl)-1-phenylurea Traditional Name: 3-butyl-1-(2-cyanoethyl)-1-phenyl-urea Formula: C14H19N3O MolecularWeight: 245.32016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(CCC#N)C1=CC=CC=C1

Isomeric SMILES

CCCCNC(=O)N(CCC#N)C1=CC=CC=C1

InChI

InChI=1S/C14H19N3O/c1-2-3-11-16-14(18)17(12-7-10-15)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,11-12H2,1H3,(H,16,18)