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

Systemtic Name: 2-azanyl-3-bromanyl-5-[2-oxidanyl-1-(propan-2-ylamino)ethyl]benzenecarbonitrile hydrochloride Openeye Name: 2-amino-3-bromo-5-[2-hydroxy-1-(isopropylamino)ethyl]benzonitrile hydrochloride CAS Name: 2-amino-3-bromo-5-[2-hydroxy-1-(propan-2-ylamino)ethyl]benzonitrile hydrochloride IUPAC Name: 2-amino-3-bromo-5-[2-hydroxy-1-(propan-2-ylamino)ethyl]benzonitrile hydrochloride Traditional Name: 2-amino-3-bromo-5-[2-hydroxy-1-(isopropylamino)ethyl]benzonitrile hydrochloride Formula: C12H17BrClN3O MolecularWeight: 334.63988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(CO)C1=CC(=C(C(=C1)C#N)N)Br.Cl

Isomeric SMILES

CC(C)NC(CO)C1=CC(=C(C(=C1)C#N)N)Br.Cl

InChI

InChI=1S/C12H16BrN3O.ClH/c1-7(2)16-11(6-17)8-3-9(5-14)12(15)10(13)4-8;/h3-4,7,11,16-17H,6,15H2,1-2H3;1H