4-[[4-[2-(4-fluorophenyl)-2-oxidanyl-ethyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(4-fluorophenyl)-2-oxidanyl-ethyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-fluorophenyl)-2-hydroxy-ethyl]-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(4-fluorophenyl)-2-hydroxy-ethyl]-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C21H24FN3O MolecularWeight: 353.433163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(C2=CC=C(C=C2)F)O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN(C1)CC(C2=CC=C(C=C2)F)O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H24FN3O/c22-20-8-6-19(7-9-20)21(26)16-25-11-1-10-24(12-13-25)15-18-4-2-17(14-23)3-5-18/h2-9,21,26H,1,10-13,15-16H2