5-[1-(4-pentylphenyl)ethyl]-2-(5-pentylpyrimidin-2-yl)benzenecarbonitrile

Systemtic Name: 5-[1-(4-pentylphenyl)ethyl]-2-(5-pentylpyrimidin-2-yl)benzenecarbonitrile Openeye Name: 5-[1-(4-pentylphenyl)ethyl]-2-(5-pentylpyrimidin-2-yl)benzonitrile CAS Name: 5-[1-(4-pentylphenyl)ethyl]-2-(5-pentyl-2-pyrimidinyl)benzonitrile IUPAC Name: 5-[1-(4-pentylphenyl)ethyl]-2-(5-pentylpyrimidin-2-yl)benzonitrile Traditional Name: 5-[1-(4-amylphenyl)ethyl]-2-(5-amylpyrimidin-2-yl)benzonitrile Formula: C29H35N3 MolecularWeight: 425.6083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(C)C2=CC(=C(C=C2)C3=NC=C(C=N3)CCCCC)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(C)C2=CC(=C(C=C2)C3=NC=C(C=N3)CCCCC)C#N

InChI

InChI=1S/C29H35N3/c1-4-6-8-10-23-12-14-25(15-13-23)22(3)26-16-17-28(27(18-26)19-30)29-31-20-24(21-32-29)11-9-7-5-2/h12-18,20-22H,4-11H2,1-3H3