4-[5-[(4-octylphenyl)methoxy]pyrazin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[5-[(4-octylphenyl)methoxy]pyrazin-2-yl]benzenecarbonitrile Openeye Name: 4-[5-[(4-octylphenyl)methoxy]pyrazin-2-yl]benzonitrile CAS Name: 4-[5-[(4-octylphenyl)methoxy]-2-pyrazinyl]benzonitrile IUPAC Name: 4-[5-[(4-octylphenyl)methoxy]pyrazin-2-yl]benzonitrile Traditional Name: 4-[5-(4-octylbenzyl)oxypyrazin-2-yl]benzonitrile Formula: C26H29N3O MolecularWeight: 399.52796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)COC2=NC=C(N=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)COC2=NC=C(N=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H29N3O/c1-2-3-4-5-6-7-8-21-9-11-23(12-10-21)20-30-26-19-28-25(18-29-26)24-15-13-22(17-27)14-16-24/h9-16,18-19H,2-8,20H2,1H3