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

Systemtic Name: 2-azanyl-5-[1-(cyclobutylamino)-2-oxidanyl-ethyl]benzenecarbonitrile hydrochloride Openeye Name: 2-amino-5-[1-(cyclobutylamino)-2-hydroxy-ethyl]benzonitrile hydrochloride CAS Name: 2-amino-5-[1-(cyclobutylamino)-2-hydroxyethyl]benzonitrile hydrochloride IUPAC Name: 2-amino-5-[1-(cyclobutylamino)-2-hydroxyethyl]benzonitrile hydrochloride Traditional Name: 2-amino-5-[1-(cyclobutylamino)-2-hydroxy-ethyl]benzonitrile hydrochloride Formula: C13H18ClN3O MolecularWeight: 267.75452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O.ClH/c14-7-10-6-9(4-5-12(10)15)13(8-17)16-11-2-1-3-11;/h4-6,11,13,16-17H,1-3,8,15H2;1H