2-azanyl-5-[2-(butan-2-ylamino)-1-oxidanyl-ethyl]-3-chloranyl-benzenecarbonitrile dihydrochloride

Systemtic Name: 2-azanyl-5-[2-(butan-2-ylamino)-1-oxidanyl-ethyl]-3-chloranyl-benzenecarbonitrile dihydrochloride Openeye Name: 2-amino-3-chloro-5-[1-hydroxy-2-(sec-butylamino)ethyl]benzonitrile dihydrochloride CAS Name: 2-amino-5-[2-(butan-2-ylamino)-1-hydroxyethyl]-3-chlorobenzonitrile dihydrochloride IUPAC Name: 2-amino-5-[2-(butan-2-ylamino)-1-hydroxyethyl]-3-chlorobenzonitrile dihydrochloride Traditional Name: 2-amino-3-chloro-5-[1-hydroxy-2-(sec-butylamino)ethyl]benzonitrile dihydrochloride Formula: C13H20Cl3N3O MolecularWeight: 340.6764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC(C1=CC(=C(C(=C1)C#N)N)Cl)O.Cl.Cl

Isomeric SMILES

CCC(C)NCC(C1=CC(=C(C(=C1)C#N)N)Cl)O.Cl.Cl

InChI

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