2-fluoranyl-6-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methylamino]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methylamino]benzenecarbonitrile Openeye Name: 2-fluoro-6-[[4-(3-oxopiperazin-1-yl)phenyl]methylamino]benzonitrile CAS Name: 2-fluoro-6-[[4-(3-oxo-1-piperazinyl)phenyl]methylamino]benzonitrile IUPAC Name: 2-fluoro-6-[[4-(3-oxopiperazin-1-yl)phenyl]methylamino]benzonitrile Traditional Name: 2-fluoro-6-[[4-(3-ketopiperazino)benzyl]amino]benzonitrile Formula: C18H17FN4O MolecularWeight: 324.352183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC3=C(C(=CC=C3)F)C#N

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C18H17FN4O/c19-16-2-1-3-17(15(16)10-20)22-11-13-4-6-14(7-5-13)23-9-8-21-18(24)12-23/h1-7,22H,8-9,11-12H2,(H,21,24)