3-[4-(5-heptylpyrimidin-2-yl)phenyl]prop-2-ynenitrile

Systemtic Name: 3-[4-(5-heptylpyrimidin-2-yl)phenyl]prop-2-ynenitrile Openeye Name: 3-[4-(5-heptylpyrimidin-2-yl)phenyl]prop-2-ynenitrile CAS Name: 3-[4-(5-heptyl-2-pyrimidinyl)phenyl]-2-propynenitrile IUPAC Name: 3-[4-(5-heptylpyrimidin-2-yl)phenyl]prop-2-ynenitrile Traditional Name: 3-[4-(5-heptylpyrimidin-2-yl)phenyl]propiolonitrile Formula: C20H21N3 MolecularWeight: 303.40084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3/c1-2-3-4-5-6-8-18-15-22-20(23-16-18)19-12-10-17(11-13-19)9-7-14-21/h10-13,15-16H,2-6,8H2,1H3