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

Systemtic Name: 1-butyl-1-(2-cyanoethyl)-3-(2-methylphenyl)urea Openeye Name: 1-butyl-1-(2-cyanoethyl)-3-(o-tolyl)urea CAS Name: 1-butyl-1-(2-cyanoethyl)-3-(2-methylphenyl)urea IUPAC Name: 1-butyl-1-(2-cyanoethyl)-3-(2-methylphenyl)urea Traditional Name: 1-butyl-1-(2-cyanoethyl)-3-(o-tolyl)urea Formula: C15H21N3O MolecularWeight: 259.34674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCC#N)C(=O)NC1=CC=CC=C1C

Isomeric SMILES

CCCCN(CCC#N)C(=O)NC1=CC=CC=C1C

InChI

InChI=1S/C15H21N3O/c1-3-4-11-18(12-7-10-16)15(19)17-14-9-6-5-8-13(14)2/h5-6,8-9H,3-4,7,11-12H2,1-2H3,(H,17,19)