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

Systemtic Name: 5-[4-(4-butylphenyl)phenyl]pyrimidine-2-carbonitrile Openeye Name: 5-[4-(4-butylphenyl)phenyl]pyrimidine-2-carbonitrile CAS Name: 5-[4-(4-butylphenyl)phenyl]-2-pyrimidinecarbonitrile IUPAC Name: 5-[4-(4-butylphenyl)phenyl]pyrimidine-2-carbonitrile Traditional Name: 5-[4-(4-butylphenyl)phenyl]pyrimidine-2-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=CN=C(N=C3)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN=C(N=C3)C#N

InChI

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