3-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(5-fluoro-2-methoxy-benzyl)piperazino]methyl]benzonitrile Formula: C20H22FN3O MolecularWeight: 339.406583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)CN2CCN(CC2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)F)CN2CCN(CC2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H22FN3O/c1-25-20-6-5-19(21)12-18(20)15-24-9-7-23(8-10-24)14-17-4-2-3-16(11-17)13-22/h2-6,11-12H,7-10,14-15H2,1H3