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

Systemtic Name: 3-[4-(5-pentylpyrimidin-2-yl)phenyl]prop-2-ynenitrile Openeye Name: 3-[4-(5-pentylpyrimidin-2-yl)phenyl]prop-2-ynenitrile CAS Name: 3-[4-(5-pentyl-2-pyrimidinyl)phenyl]-2-propynenitrile IUPAC Name: 3-[4-(5-pentylpyrimidin-2-yl)phenyl]prop-2-ynenitrile Traditional Name: 3-[4-(5-amylpyrimidin-2-yl)phenyl]propiolonitrile Formula: C18H17N3 MolecularWeight: 275.34768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C#CC#N

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C#CC#N

InChI

InChI=1S/C18H17N3/c1-2-3-4-6-16-13-20-18(21-14-16)17-10-8-15(9-11-17)7-5-12-19/h8-11,13-14H,2-4,6H2,1H3