3-[[4-[2-(4-fluoranylphenoxy)ethyl]-5-oxidanylidene-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[2-(4-fluoranylphenoxy)ethyl]-5-oxidanylidene-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[2-(4-fluorophenoxy)ethyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[2-(4-fluorophenoxy)ethyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[4-[2-(4-fluorophenoxy)ethyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[2-(4-fluorophenoxy)ethyl]-5-keto-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C21H22FN3O2 MolecularWeight: 367.416683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CCOC2=CC=C(C=C2)F)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN(C1=O)CCOC2=CC=C(C=C2)F)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H22FN3O2/c22-19-4-6-20(7-5-19)27-13-12-25-11-10-24(9-8-21(25)26)16-18-3-1-2-17(14-18)15-23/h1-7,14H,8-13,16H2