2-[1-(4-pentylphenyl)ethyl]-6-(2-pentylpyrimidin-5-yl)benzenecarbonitrile

Systemtic Name: 2-[1-(4-pentylphenyl)ethyl]-6-(2-pentylpyrimidin-5-yl)benzenecarbonitrile Openeye Name: 2-[1-(4-pentylphenyl)ethyl]-6-(2-pentylpyrimidin-5-yl)benzonitrile CAS Name: 2-[1-(4-pentylphenyl)ethyl]-6-(2-pentyl-5-pyrimidinyl)benzonitrile IUPAC Name: 2-[1-(4-pentylphenyl)ethyl]-6-(2-pentylpyrimidin-5-yl)benzonitrile Traditional Name: 2-[1-(4-amylphenyl)ethyl]-6-(2-amylpyrimidin-5-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=CC(=C2C#N)C3=CN=C(N=C3)CCCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(C)C2=CC=CC(=C2C#N)C3=CN=C(N=C3)CCCCC

InChI

InChI=1S/C29H35N3/c1-4-6-8-11-23-15-17-24(18-16-23)22(3)26-12-10-13-27(28(26)19-30)25-20-31-29(32-21-25)14-9-7-5-2/h10,12-13,15-18,20-22H,4-9,11,14H2,1-3H3