2-(4-heptylphenyl)pyrimidine-5-carbonitrile

Systemtic Name: 2-(4-heptylphenyl)pyrimidine-5-carbonitrile Openeye Name: 2-(4-heptylphenyl)pyrimidine-5-carbonitrile CAS Name: 2-(4-heptylphenyl)-5-pyrimidinecarbonitrile IUPAC Name: 2-(4-heptylphenyl)pyrimidine-5-carbonitrile Traditional Name: 2-(4-heptylphenyl)pyrimidine-5-carbonitrile Formula: C18H21N3 MolecularWeight: 279.37944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C#N

InChI

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