2-azanyl-3-bromanyl-5-[2-(2-methylbutan-2-ylamino)-1-oxidanyl-ethyl]benzenecarbonitrile

Systemtic Name: 2-azanyl-3-bromanyl-5-[2-(2-methylbutan-2-ylamino)-1-oxidanyl-ethyl]benzenecarbonitrile Openeye Name: 2-amino-3-bromo-5-[2-(1,1-dimethylpropylamino)-1-hydroxy-ethyl]benzonitrile CAS Name: 2-amino-3-bromo-5-[1-hydroxy-2-(2-methylbutan-2-ylamino)ethyl]benzonitrile IUPAC Name: 2-amino-3-bromo-5-[1-hydroxy-2-(2-methylbutan-2-ylamino)ethyl]benzonitrile Traditional Name: 2-amino-5-[2-(tert-amylamino)-1-hydroxy-ethyl]-3-bromo-benzonitrile Formula: C14H20BrN3O MolecularWeight: 326.2321

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NCC(C1=CC(=C(C(=C1)C#N)N)Br)O

Isomeric SMILES

CCC(C)(C)NCC(C1=CC(=C(C(=C1)C#N)N)Br)O

InChI

InChI=1S/C14H20BrN3O/c1-4-14(2,3)18-8-12(19)9-5-10(7-16)13(17)11(15)6-9/h5-6,12,18-19H,4,8,17H2,1-3H3