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

Systemtic Name: 6-[2-[(1-ethyl-2H-pyrazin-3-yl)carbonyl]-3-oxidanyl-phenoxy]-2,2-dimethyl-hexanenitrile Openeye Name: 6-[2-(1-ethyl-2H-pyrazine-3-carbonyl)-3-hydroxy-phenoxy]-2,2-dimethyl-hexanenitrile CAS Name: 6-[2-[(1-ethyl-2H-pyrazin-3-yl)-oxomethyl]-3-hydroxyphenoxy]-2,2-dimethylhexanenitrile IUPAC Name: 6-[2-(1-ethyl-2H-pyrazine-3-carbonyl)-3-hydroxyphenoxy]-2,2-dimethylhexanenitrile Traditional Name: 6-[2-(1-ethyl-2H-pyrazine-3-carbonyl)-3-hydroxy-phenoxy]-2,2-dimethyl-hexanenitrile Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(=NC=C1)C(=O)C2=C(C=CC=C2OCCCCC(C)(C)C#N)O

Isomeric SMILES

CCN1CC(=NC=C1)C(=O)C2=C(C=CC=C2OCCCCC(C)(C)C#N)O

InChI

InChI=1S/C21H27N3O3/c1-4-24-12-11-23-16(14-24)20(26)19-17(25)8-7-9-18(19)27-13-6-5-10-21(2,3)15-22/h7-9,11-12,25H,4-6,10,13-14H2,1-3H3