2-azanyl-5-[2-(cyclobutylamino)-1-oxidanyl-ethyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-azanyl-5-[2-(cyclobutylamino)-1-oxidanyl-ethyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 2-amino-5-[2-(cyclobutylamino)-1-hydroxy-ethyl]-3-fluoro-benzonitrile CAS Name: 2-amino-5-[2-(cyclobutylamino)-1-hydroxyethyl]-3-fluorobenzonitrile IUPAC Name: 2-amino-5-[2-(cyclobutylamino)-1-hydroxyethyl]-3-fluorobenzonitrile Traditional Name: 2-amino-5-[2-(cyclobutylamino)-1-hydroxy-ethyl]-3-fluoro-benzonitrile Formula: C13H16FN3O MolecularWeight: 249.284043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NCC(C2=CC(=C(C(=C2)C#N)N)F)O

Isomeric SMILES

C1CC(C1)NCC(C2=CC(=C(C(=C2)C#N)N)F)O

InChI

InChI=1S/C13H16FN3O/c14-11-5-8(4-9(6-15)13(11)16)12(18)7-17-10-2-1-3-10/h4-5,10,12,17-18H,1-3,7,16H2