4-(5-heptylpyrimidin-2-yl)benzenecarbonitrile

Systemtic Name: 4-(5-heptylpyrimidin-2-yl)benzenecarbonitrile Openeye Name: 4-(5-heptylpyrimidin-2-yl)benzonitrile CAS Name: 4-(5-heptyl-2-pyrimidinyl)benzonitrile IUPAC Name: 4-(5-heptylpyrimidin-2-yl)benzonitrile Traditional Name: 4-(5-heptylpyrimidin-2-yl)benzonitrile Formula: C18H21N3 MolecularWeight: 279.37944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H21N3/c1-2-3-4-5-6-7-16-13-20-18(21-14-16)17-10-8-15(12-19)9-11-17/h8-11,13-14H,2-7H2,1H3