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

Systemtic Name: 3-[4-(5-propylpyrimidin-2-yl)phenyl]prop-2-ynenitrile Openeye Name: 3-[4-(5-propylpyrimidin-2-yl)phenyl]prop-2-ynenitrile CAS Name: 3-[4-(5-propyl-2-pyrimidinyl)phenyl]-2-propynenitrile IUPAC Name: 3-[4-(5-propylpyrimidin-2-yl)phenyl]prop-2-ynenitrile Traditional Name: 3-[4-(5-propylpyrimidin-2-yl)phenyl]propiolonitrile Formula: C16H13N3 MolecularWeight: 247.29452

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)C2=CC=C(C=C2)C#CC#N

Isomeric SMILES

CCCC1=CN=C(N=C1)C2=CC=C(C=C2)C#CC#N

InChI

InChI=1S/C16H13N3/c1-2-4-14-11-18-16(19-12-14)15-8-6-13(7-9-15)5-3-10-17/h6-9,11-12H,2,4H2,1H3