5-(4-butylphenyl)-2-pyrimidin-2-yl-benzenecarbonitrile

Systemtic Name: 5-(4-butylphenyl)-2-pyrimidin-2-yl-benzenecarbonitrile Openeye Name: 5-(4-butylphenyl)-2-pyrimidin-2-yl-benzonitrile CAS Name: 5-(4-butylphenyl)-2-(2-pyrimidinyl)benzonitrile IUPAC Name: 5-(4-butylphenyl)-2-pyrimidin-2-ylbenzonitrile Traditional Name: 5-(4-butylphenyl)-2-(2-pyrimidyl)benzonitrile 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=CC=N3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3/c1-2-3-5-16-6-8-17(9-7-16)18-10-11-20(19(14-18)15-22)21-23-12-4-13-24-21/h4,6-14H,2-3,5H2,1H3