2-[4-(4-hexylphenyl)phenyl]pyrimidine-5-carbonitrile

Systemtic Name: 2-[4-(4-hexylphenyl)phenyl]pyrimidine-5-carbonitrile Openeye Name: 2-[4-(4-hexylphenyl)phenyl]pyrimidine-5-carbonitrile CAS Name: 2-[4-(4-hexylphenyl)phenyl]-5-pyrimidinecarbonitrile IUPAC Name: 2-[4-(4-hexylphenyl)phenyl]pyrimidine-5-carbonitrile Traditional Name: 2-[4-(4-hexylphenyl)phenyl]pyrimidine-5-carbonitrile Formula: C23H23N3 MolecularWeight: 341.44882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)C#N

InChI

InChI=1S/C23H23N3/c1-2-3-4-5-6-18-7-9-20(10-8-18)21-11-13-22(14-12-21)23-25-16-19(15-24)17-26-23/h7-14,16-17H,2-6H2,1H3