3-[[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[(2-chloro-4-fluoro-phenyl)methyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[4-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(2-chloro-4-fluoro-benzyl)-5-keto-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C20H19ClFN3O MolecularWeight: 371.835763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=C(C=C(C=C2)F)Cl)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN(C1=O)CC2=C(C=C(C=C2)F)Cl)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H19ClFN3O/c21-19-11-18(22)5-4-17(19)14-25-9-8-24(7-6-20(25)26)13-16-3-1-2-15(10-16)12-23/h1-5,10-11H,6-9,13-14H2