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

Systemtic Name: 2-[4-(4-pentylphenyl)phenyl]pyrimidine-5-carbonitrile Openeye Name: 2-[4-(4-pentylphenyl)phenyl]pyrimidine-5-carbonitrile CAS Name: 2-[4-(4-pentylphenyl)phenyl]-5-pyrimidinecarbonitrile IUPAC Name: 2-[4-(4-pentylphenyl)phenyl]pyrimidine-5-carbonitrile Traditional Name: 2-[4-(4-amylphenyl)phenyl]pyrimidine-5-carbonitrile Formula: C22H21N3 MolecularWeight: 327.42224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3/c1-2-3-4-5-17-6-8-19(9-7-17)20-10-12-21(13-11-20)22-24-15-18(14-23)16-25-22/h6-13,15-16H,2-5H2,1H3