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

Systemtic Name: 2-[4-(4-butylphenyl)phenyl]pyrimidine-5-carbonitrile Openeye Name: 2-[4-(4-butylphenyl)phenyl]pyrimidine-5-carbonitrile CAS Name: 2-[4-(4-butylphenyl)phenyl]-5-pyrimidinecarbonitrile IUPAC Name: 2-[4-(4-butylphenyl)phenyl]pyrimidine-5-carbonitrile Traditional Name: 2-[4-(4-butylphenyl)phenyl]pyrimidine-5-carbonitrile Formula: C21H19N3 MolecularWeight: 313.39566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)C#N

InChI

InChI=1S/C21H19N3/c1-2-3-4-16-5-7-18(8-6-16)19-9-11-20(12-10-19)21-23-14-17(13-22)15-24-21/h5-12,14-15H,2-4H2,1H3