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

Systemtic Name: 2-azanyl-3-fluoranyl-5-[1-oxidanyl-2-(propan-2-ylamino)ethyl]benzenecarbonitrile Openeye Name: 2-amino-3-fluoro-5-[1-hydroxy-2-(isopropylamino)ethyl]benzonitrile CAS Name: 2-amino-3-fluoro-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrile IUPAC Name: 2-amino-3-fluoro-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrile Traditional Name: 2-amino-3-fluoro-5-[1-hydroxy-2-(isopropylamino)ethyl]benzonitrile Formula: C12H16FN3O MolecularWeight: 237.273343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16FN3O/c1-7(2)16-6-11(17)8-3-9(5-14)12(15)10(13)4-8/h3-4,7,11,16-17H,6,15H2,1-2H3