1-fluoranyl-3-pentyl-benzene; 2-pentyl-5-phenyl-pyrimidine

Systemtic Name: 1-fluoranyl-3-pentyl-benzene; 2-pentyl-5-phenyl-pyrimidine Openeye Name: 1-fluoro-3-pentyl-benzene; 2-pentyl-5-phenyl-pyrimidine CAS Name: 1-fluoro-3-pentylbenzene; 2-pentyl-5-phenylpyrimidine IUPAC Name: 1-fluoro-3-pentylbenzene; 2-pentyl-5-phenylpyrimidine Traditional Name: 1-amyl-3-fluoro-benzene; 2-amyl-5-phenyl-pyrimidine Formula: C26H33FN2 MolecularWeight: 392.552023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=CC=C1)F.CCCCCC1=NC=C(C=N1)C2=CC=CC=C2

Isomeric SMILES

CCCCCC1=CC(=CC=C1)F.CCCCCC1=NC=C(C=N1)C2=CC=CC=C2

InChI

InChI=1S/C15H18N2.C11H15F/c1-2-3-5-10-15-16-11-14(12-17-15)13-8-6-4-7-9-13;1-2-3-4-6-10-7-5-8-11(12)9-10/h4,6-9,11-12H,2-3,5,10H2,1H3;5,7-9H,2-4,6H2,1H3