4-(2-pentylpyrimidin-4-yl)benzenecarbonitrile

Systemtic Name: 4-(2-pentylpyrimidin-4-yl)benzenecarbonitrile Openeye Name: 4-(2-pentylpyrimidin-4-yl)benzonitrile CAS Name: 4-(2-pentyl-4-pyrimidinyl)benzonitrile IUPAC Name: 4-(2-pentylpyrimidin-4-yl)benzonitrile Traditional Name: 4-(2-amylpyrimidin-4-yl)benzonitrile Formula: C16H17N3 MolecularWeight: 251.32628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC=CC(=N1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCC1=NC=CC(=N1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H17N3/c1-2-3-4-5-16-18-11-10-15(19-16)14-8-6-13(12-17)7-9-14/h6-11H,2-5H2,1H3