4-[4-(2-butylpyrimidin-5-yl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(2-butylpyrimidin-5-yl)phenyl]benzenecarbonitrile Openeye Name: 4-[4-(2-butylpyrimidin-5-yl)phenyl]benzonitrile CAS Name: 4-[4-(2-butyl-5-pyrimidinyl)phenyl]benzonitrile IUPAC Name: 4-[4-(2-butylpyrimidin-5-yl)phenyl]benzonitrile Traditional Name: 4-[4-(2-butylpyrimidin-5-yl)phenyl]benzonitrile Formula: C21H19N3 MolecularWeight: 313.39566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(C=N1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC1=NC=C(C=N1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

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