3-heptyl-6-hexoxy-1-oxidanylidene-2,3-dihydroisoindole-4,5-dicarbonitrile

Systemtic Name: 3-heptyl-6-hexoxy-1-oxidanylidene-2,3-dihydroisoindole-4,5-dicarbonitrile Openeye Name: 3-heptyl-6-hexoxy-1-oxo-isoindoline-4,5-dicarbonitrile CAS Name: 3-heptyl-6-hexoxy-1-oxo-2,3-dihydroisoindole-4,5-dicarbonitrile IUPAC Name: 3-heptyl-6-hexoxy-1-oxo-2,3-dihydroisoindole-4,5-dicarbonitrile Traditional Name: 3-heptyl-6-hexoxy-1-keto-isoindoline-4,5-dicarbonitrile Formula: C23H31N3O2 MolecularWeight: 381.51114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C2=C(C(=C(C=C2C(=O)N1)OCCCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCC1C2=C(C(=C(C=C2C(=O)N1)OCCCCCC)C#N)C#N

InChI

InChI=1S/C23H31N3O2/c1-3-5-7-9-10-12-20-22-17(23(27)26-20)14-21(18(15-24)19(22)16-25)28-13-11-8-6-4-2/h14,20H,3-13H2,1-2H3,(H,26,27)