2-[(Z)-1,2-bis(fluoranyl)-4-(4-propylphenyl)but-1-en-3-ynyl]-5-methyl-pyrimidine

Systemtic Name: 2-[(Z)-1,2-bis(fluoranyl)-4-(4-propylphenyl)but-1-en-3-ynyl]-5-methyl-pyrimidine Openeye Name: 2-[(Z)-1,2-difluoro-4-(4-propylphenyl)but-1-en-3-ynyl]-5-methyl-pyrimidine CAS Name: 2-[(Z)-1,2-difluoro-4-(4-propylphenyl)but-1-en-3-ynyl]-5-methylpyrimidine IUPAC Name: 2-[(Z)-1,2-difluoro-4-(4-propylphenyl)but-1-en-3-ynyl]-5-methylpyrimidine Traditional Name: 2-[(Z)-1,2-difluoro-4-(4-propylphenyl)but-1-en-3-ynyl]-5-methyl-pyrimidine Formula: C18H16F2N2 MolecularWeight: 298.329846

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C#CC(=C(C2=NC=C(C=N2)C)F)F

Isomeric SMILES

CCCC1=CC=C(C=C1)C#C/C(=C(\C2=NC=C(C=N2)C)/F)/F

InChI

InChI=1S/C18H16F2N2/c1-3-4-14-5-7-15(8-6-14)9-10-16(19)17(20)18-21-11-13(2)12-22-18/h5-8,11-12H,3-4H2,1-2H3/b17-16-