4-butyl-3-fluoranyl-1-phenyl-isoquinoline

Systemtic Name: 4-butyl-3-fluoranyl-1-phenyl-isoquinoline Openeye Name: 4-butyl-3-fluoro-1-phenyl-isoquinoline CAS Name: 4-butyl-3-fluoro-1-phenylisoquinoline IUPAC Name: 4-butyl-3-fluoro-1-phenylisoquinoline Traditional Name: 4-butyl-3-fluoro-1-phenyl-isoquinoline Formula: C19H18FN MolecularWeight: 279.351323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(C2=CC=CC=C21)C3=CC=CC=C3)F

Isomeric SMILES

CCCCC1=C(N=C(C2=CC=CC=C21)C3=CC=CC=C3)F

InChI

InChI=1S/C19H18FN/c1-2-3-11-17-15-12-7-8-13-16(15)18(21-19(17)20)14-9-5-4-6-10-14/h4-10,12-13H,2-3,11H2,1H3