2-heptyl-6-pyrimidin-2-yl-benzenecarbonitrile

Systemtic Name: 2-heptyl-6-pyrimidin-2-yl-benzenecarbonitrile Openeye Name: 2-heptyl-6-pyrimidin-2-yl-benzonitrile CAS Name: 2-heptyl-6-(2-pyrimidinyl)benzonitrile IUPAC Name: 2-heptyl-6-pyrimidin-2-ylbenzonitrile Traditional Name: 2-heptyl-6-(2-pyrimidyl)benzonitrile Formula: C18H21N3 MolecularWeight: 279.37944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=CC(=C1C#N)C2=NC=CC=N2

Isomeric SMILES

CCCCCCCC1=CC=CC(=C1C#N)C2=NC=CC=N2

InChI

InChI=1S/C18H21N3/c1-2-3-4-5-6-9-15-10-7-11-16(17(15)14-19)18-20-12-8-13-21-18/h7-8,10-13H,2-6,9H2,1H3