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

Systemtic Name: 2-azanyl-3-bromanyl-5-[1-(cyclobutylamino)-2-oxidanyl-ethyl]benzenecarbonitrile hydrochloride Openeye Name: 2-amino-3-bromo-5-[1-(cyclobutylamino)-2-hydroxy-ethyl]benzonitrile hydrochloride CAS Name: 2-amino-3-bromo-5-[1-(cyclobutylamino)-2-hydroxyethyl]benzonitrile hydrochloride IUPAC Name: 2-amino-3-bromo-5-[1-(cyclobutylamino)-2-hydroxyethyl]benzonitrile hydrochloride Traditional Name: 2-amino-3-bromo-5-[1-(cyclobutylamino)-2-hydroxy-ethyl]benzonitrile hydrochloride Formula: C13H17BrClN3O MolecularWeight: 346.65058

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC(CO)C2=CC(=C(C(=C2)C#N)N)Br.Cl

Isomeric SMILES

C1CC(C1)NC(CO)C2=CC(=C(C(=C2)C#N)N)Br.Cl

InChI

InChI=1S/C13H16BrN3O.ClH/c14-11-5-8(4-9(6-15)13(11)16)12(7-18)17-10-2-1-3-10;/h4-5,10,12,17-18H,1-3,7,16H2;1H