3-chloranyl-1-(3-fluoranyl-4-methoxy-phenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-chloranyl-1-(3-fluoranyl-4-methoxy-phenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-chloro-1-(3-fluoro-4-methoxy-phenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-chloro-1-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-chloro-1-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-chloro-1-(3-fluoro-4-methoxy-phenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C17H14ClFN2O MolecularWeight: 316.757263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3CCCCC3=C(C(=N2)Cl)C#N)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3CCCCC3=C(C(=N2)Cl)C#N)F

InChI

InChI=1S/C17H14ClFN2O/c1-22-15-7-6-10(8-14(15)19)16-12-5-3-2-4-11(12)13(9-20)17(18)21-16/h6-8H,2-5H2,1H3