3-(3-octan-3-yl-2-oxidanylidene-imidazolidin-1-yl)benzenecarbonitrile

Systemtic Name: 3-(3-octan-3-yl-2-oxidanylidene-imidazolidin-1-yl)benzenecarbonitrile Openeye Name: 3-[3-(1-ethylhexyl)-2-oxo-imidazolidin-1-yl]benzonitrile CAS Name: 3-(3-octan-3-yl-2-oxo-1-imidazolidinyl)benzonitrile IUPAC Name: 3-(3-octan-3-yl-2-oxoimidazolidin-1-yl)benzonitrile Traditional Name: 3-[3-(1-ethylhexyl)-2-keto-imidazolidin-1-yl]benzonitrile Formula: C18H25N3O MolecularWeight: 299.4106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)N1CCN(C1=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CCCCCC(CC)N1CCN(C1=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H25N3O/c1-3-5-6-9-16(4-2)20-11-12-21(18(20)22)17-10-7-8-15(13-17)14-19/h7-8,10,13,16H,3-6,9,11-12H2,1-2H3