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

Systemtic Name: 2-azanyl-3-chloranyl-5-[2-(2-methylbutan-2-ylamino)-1-oxidanyl-ethyl]benzenecarbonitrile hydrochloride Openeye Name: 2-amino-3-chloro-5-[2-(1,1-dimethylpropylamino)-1-hydroxy-ethyl]benzonitrile hydrochloride CAS Name: 2-amino-3-chloro-5-[1-hydroxy-2-(2-methylbutan-2-ylamino)ethyl]benzonitrile hydrochloride IUPAC Name: 2-amino-3-chloro-5-[1-hydroxy-2-(2-methylbutan-2-ylamino)ethyl]benzonitrile hydrochloride Traditional Name: 2-amino-5-[2-(tert-amylamino)-1-hydroxy-ethyl]-3-chloro-benzonitrile hydrochloride Formula: C14H21Cl2N3O MolecularWeight: 318.24204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN3O.ClH/c1-4-14(2,3)18-8-12(19)9-5-10(7-16)13(17)11(15)6-9;/h5-6,12,18-19H,4,8,17H2,1-3H3;1H