1,1-dibutyl-3-(2-cyano-3,3-dimethyl-4H-naphthalen-1-yl)urea

Systemtic Name: 1,1-dibutyl-3-(2-cyano-3,3-dimethyl-4H-naphthalen-1-yl)urea Openeye Name: 1,1-dibutyl-3-(2-cyano-3,3-dimethyl-4H-naphthalen-1-yl)urea CAS Name: 1,1-dibutyl-3-(2-cyano-3,3-dimethyl-4H-naphthalen-1-yl)urea IUPAC Name: 1,1-dibutyl-3-(2-cyano-3,3-dimethyl-4H-naphthalen-1-yl)urea Traditional Name: 1,1-dibutyl-3-(2-cyano-3,3-dimethyl-4H-naphthalen-1-yl)urea Formula: C22H31N3O MolecularWeight: 353.50104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)NC1=C(C(CC2=CC=CC=C21)(C)C)C#N

Isomeric SMILES

CCCCN(CCCC)C(=O)NC1=C(C(CC2=CC=CC=C21)(C)C)C#N

InChI

InChI=1S/C22H31N3O/c1-5-7-13-25(14-8-6-2)21(26)24-20-18-12-10-9-11-17(18)15-22(3,4)19(20)16-23/h9-12H,5-8,13-15H2,1-4H3,(H,24,26)