6-[[1-ethyl-3-(2-hydroxyphenyl)carbonyl-2H-pyrazin-6-yl]oxy]-2,2-dimethyl-hexanenitrile

Systemtic Name: 6-[[1-ethyl-3-(2-hydroxyphenyl)carbonyl-2H-pyrazin-6-yl]oxy]-2,2-dimethyl-hexanenitrile Openeye Name: 6-[[1-ethyl-3-(2-hydroxybenzoyl)-2H-pyrazin-6-yl]oxy]-2,2-dimethyl-hexanenitrile CAS Name: 6-[[1-ethyl-3-[(2-hydroxyphenyl)-oxomethyl]-2H-pyrazin-6-yl]oxy]-2,2-dimethylhexanenitrile IUPAC Name: 6-[[1-ethyl-3-(2-hydroxybenzoyl)-2H-pyrazin-6-yl]oxy]-2,2-dimethylhexanenitrile Traditional Name: 6-[(1-ethyl-3-salicyloyl-2H-pyrazin-6-yl)oxy]-2,2-dimethyl-hexanenitrile Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(=NC=C1OCCCCC(C)(C)C#N)C(=O)C2=CC=CC=C2O

Isomeric SMILES

CCN1CC(=NC=C1OCCCCC(C)(C)C#N)C(=O)C2=CC=CC=C2O

InChI

InChI=1S/C21H27N3O3/c1-4-24-14-17(20(26)16-9-5-6-10-18(16)25)23-13-19(24)27-12-8-7-11-21(2,3)15-22/h5-6,9-10,13,25H,4,7-8,11-12,14H2,1-3H3