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

Systemtic Name: 2-azanyl-3-chloranyl-5-[1-(cyclobutylamino)-2-oxidanyl-ethyl]benzenecarbonitrile hydrochloride Openeye Name: 2-amino-3-chloro-5-[1-(cyclobutylamino)-2-hydroxy-ethyl]benzonitrile hydrochloride CAS Name: 2-amino-3-chloro-5-[1-(cyclobutylamino)-2-hydroxyethyl]benzonitrile hydrochloride IUPAC Name: 2-amino-3-chloro-5-[1-(cyclobutylamino)-2-hydroxyethyl]benzonitrile hydrochloride Traditional Name: 2-amino-3-chloro-5-[1-(cyclobutylamino)-2-hydroxy-ethyl]benzonitrile hydrochloride Formula: C13H17Cl2N3O MolecularWeight: 302.19958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O.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