2-[4-heptadecan-8-yl-1-(3-heptyl-2-oxidanylidene-dodecyl)imidazol-2-yl]propanedinitrile

Systemtic Name: 2-[4-heptadecan-8-yl-1-(3-heptyl-2-oxidanylidene-dodecyl)imidazol-2-yl]propanedinitrile Openeye Name: 2-[4-(1-heptyldecyl)-1-(3-heptyl-2-oxo-dodecyl)imidazol-2-yl]propanedinitrile CAS Name: 2-[4-heptadecan-8-yl-1-(3-heptyl-2-oxododecyl)-2-imidazolyl]propanedinitrile IUPAC Name: 2-[4-heptadecan-8-yl-1-(3-heptyl-2-oxododecyl)imidazol-2-yl]propanedinitrile Traditional Name: 2-[4-(1-heptyldecyl)-1-(3-heptyl-2-keto-dodecyl)imidazol-2-yl]malononitrile Formula: C42H74N4O MolecularWeight: 651.06316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCC)C1=CN(C(=N1)C(C#N)C#N)CC(=O)C(CCCCCCC)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC(CCCCCCC)C1=CN(C(=N1)C(C#N)C#N)CC(=O)C(CCCCCCC)CCCCCCCCC

InChI

InChI=1S/C42H74N4O/c1-5-9-13-17-19-23-26-30-37(29-25-21-15-11-7-3)40-35-46(42(45-40)39(33-43)34-44)36-41(47)38(31-27-22-16-12-8-4)32-28-24-20-18-14-10-6-2/h35,37-39H,5-32,36H2,1-4H3