2-[[1-(5-octylpyrimidin-2-yl)-4-phenyl-cyclohexa-2,5-dien-1-yl]methyl]pentanenitrile

Systemtic Name: 2-[[1-(5-octylpyrimidin-2-yl)-4-phenyl-cyclohexa-2,5-dien-1-yl]methyl]pentanenitrile Openeye Name: 2-[[1-(5-octylpyrimidin-2-yl)-4-phenyl-cyclohexa-2,5-dien-1-yl]methyl]pentanenitrile CAS Name: 2-[[1-(5-octyl-2-pyrimidinyl)-4-phenyl-1-cyclohexa-2,5-dienyl]methyl]pentanenitrile IUPAC Name: 2-[[1-(5-octylpyrimidin-2-yl)-4-phenylcyclohexa-2,5-dien-1-yl]methyl]pentanenitrile Traditional Name: 2-[[1-(5-octylpyrimidin-2-yl)-4-phenyl-cyclohexa-2,5-dien-1-yl]methyl]valeronitrile Formula: C30H39N3 MolecularWeight: 441.65076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)CC(CCC)C#N

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)CC(CCC)C#N

InChI

InChI=1S/C30H39N3/c1-3-5-6-7-8-10-14-26-23-32-29(33-24-26)30(21-25(22-31)13-4-2)19-17-28(18-20-30)27-15-11-9-12-16-27/h9,11-12,15-20,23-25,28H,3-8,10,13-14,21H2,1-2H3