2-azanyl-6-fluoranyl-3-methyl-5-[1-oxidanyl-2-(propan-2-ylamino)ethyl]benzenecarbonitrile

Systemtic Name: 2-azanyl-6-fluoranyl-3-methyl-5-[1-oxidanyl-2-(propan-2-ylamino)ethyl]benzenecarbonitrile Openeye Name: 2-amino-6-fluoro-5-[1-hydroxy-2-(isopropylamino)ethyl]-3-methyl-benzonitrile CAS Name: 2-amino-6-fluoro-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]-3-methylbenzonitrile IUPAC Name: 2-amino-6-fluoro-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]-3-methylbenzonitrile Traditional Name: 2-amino-6-fluoro-5-[1-hydroxy-2-(isopropylamino)ethyl]-3-methyl-benzonitrile Formula: C13H18FN3O MolecularWeight: 251.299923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1N)C#N)F)C(CNC(C)C)O

Isomeric SMILES

CC1=CC(=C(C(=C1N)C#N)F)C(CNC(C)C)O

InChI

InChI=1S/C13H18FN3O/c1-7(2)17-6-11(18)9-4-8(3)13(16)10(5-15)12(9)14/h4,7,11,17-18H,6,16H2,1-3H3