1-[[4,5-dicyano-2-(2-hexyl-2-octyl-cyclopropyl)phenyl]amino]-3-methyl-urea

Systemtic Name: 1-[[4,5-dicyano-2-(2-hexyl-2-octyl-cyclopropyl)phenyl]amino]-3-methyl-urea Openeye Name: 1-[4,5-dicyano-2-(2-hexyl-2-octyl-cyclopropyl)anilino]-3-methyl-urea CAS Name: 1-[4,5-dicyano-2-(2-hexyl-2-octylcyclopropyl)anilino]-3-methylurea IUPAC Name: 1-[4,5-dicyano-2-(2-hexyl-2-octylcyclopropyl)anilino]-3-methylurea Traditional Name: 1-[4,5-dicyano-2-(2-hexyl-2-octyl-cyclopropyl)anilino]-3-methyl-urea Formula: C27H41N5O MolecularWeight: 451.64734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(CC1C2=C(C=C(C(=C2)C#N)C#N)NNC(=O)NC)CCCCCC

Isomeric SMILES

CCCCCCCCC1(CC1C2=C(C=C(C(=C2)C#N)C#N)NNC(=O)NC)CCCCCC

InChI

InChI=1S/C27H41N5O/c1-4-6-8-10-11-13-15-27(14-12-9-7-5-2)18-24(27)23-16-21(19-28)22(20-29)17-25(23)31-32-26(33)30-3/h16-17,24,31H,4-15,18H2,1-3H3,(H2,30,32,33)