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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN=C(N=C3)C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN=C(N=C3)C#N

InChI

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