2-chloranyl-6-[3-[(2-methyl-5-pyridin-2-yl-pentan-2-yl)amino]-2-oxidanyl-propoxy]benzenecarbonitrile hydrochloride

Systemtic Name: 2-chloranyl-6-[3-[(2-methyl-5-pyridin-2-yl-pentan-2-yl)amino]-2-oxidanyl-propoxy]benzenecarbonitrile hydrochloride Openeye Name: 2-chloro-6-[3-[[1,1-dimethyl-4-(2-pyridyl)butyl]amino]-2-hydroxy-propoxy]benzonitrile hydrochloride CAS Name: 2-chloro-6-[2-hydroxy-3-[[2-methyl-5-(2-pyridinyl)pentan-2-yl]amino]propoxy]benzonitrile hydrochloride IUPAC Name: 2-chloro-6-[2-hydroxy-3-[(2-methyl-5-pyridin-2-ylpentan-2-yl)amino]propoxy]benzonitrile hydrochloride Traditional Name: 2-chloro-6-[3-[[1,1-dimethyl-4-(2-pyridyl)butyl]amino]-2-hydroxy-propoxy]benzonitrile hydrochloride Formula: C21H27Cl2N3O2 MolecularWeight: 424.36398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC1=CC=CC=N1)NCC(COC2=C(C(=CC=C2)Cl)C#N)O.Cl

Isomeric SMILES

CC(C)(CCCC1=CC=CC=N1)NCC(COC2=C(C(=CC=C2)Cl)C#N)O.Cl

InChI

InChI=1S/C21H26ClN3O2.ClH/c1-21(2,11-6-8-16-7-3-4-12-24-16)25-14-17(26)15-27-20-10-5-9-19(22)18(20)13-23;/h3-5,7,9-10,12,17,25-26H,6,8,11,14-15H2,1-2H3;1H