2-azanyl-5-[1-(tert-butylamino)-2-oxidanyl-ethyl]-3-chloranyl-benzenecarbonitrile hydrochloride

Systemtic Name: 2-azanyl-5-[1-(tert-butylamino)-2-oxidanyl-ethyl]-3-chloranyl-benzenecarbonitrile hydrochloride Openeye Name: 2-amino-5-[1-(tert-butylamino)-2-hydroxy-ethyl]-3-chloro-benzonitrile hydrochloride CAS Name: 2-amino-5-[1-(tert-butylamino)-2-hydroxyethyl]-3-chlorobenzonitrile hydrochloride IUPAC Name: 2-amino-5-[1-(tert-butylamino)-2-hydroxyethyl]-3-chlorobenzonitrile hydrochloride Traditional Name: 2-amino-5-[1-(tert-butylamino)-2-hydroxy-ethyl]-3-chloro-benzonitrile hydrochloride Formula: C13H19Cl2N3O MolecularWeight: 304.21546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN3O.ClH/c1-13(2,3)17-11(7-18)8-4-9(6-15)12(16)10(14)5-8;/h4-5,11,17-18H,7,16H2,1-3H3;1H