3-fluoranyl-4-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]benzonitrile CAS Name: 3-fluoro-4-[[2-(4-methoxyphenyl)-1-azepanyl]methyl]benzonitrile IUPAC Name: 3-fluoro-4-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]benzonitrile Traditional Name: 3-fluoro-4-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]benzonitrile Formula: C21H23FN2O MolecularWeight: 338.418523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2CC3=C(C=C(C=C3)C#N)F

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2CC3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C21H23FN2O/c1-25-19-10-8-17(9-11-19)21-5-3-2-4-12-24(21)15-18-7-6-16(14-23)13-20(18)22/h6-11,13,21H,2-5,12,15H2,1H3