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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)CCC2=CC(=C(C=C2)C3=NC=CC(=N3)CCCCC)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)CCC2=CC(=C(C=C2)C3=NC=CC(=N3)CCCCC)C#N

InChI

InChI=1S/C29H35N3/c1-3-5-7-9-23-11-13-24(14-12-23)15-16-25-17-18-28(26(21-25)22-30)29-31-20-19-27(32-29)10-8-6-4-2/h11-14,17-21H,3-10,15-16H2,1-2H3