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

Systemtic Name: 2-chloranyl-6-[3-[(2-methyl-5-pyridin-3-yl-pentan-2-yl)amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 2-chloro-6-[3-[[1,1-dimethyl-4-(3-pyridyl)butyl]amino]-2-hydroxy-propoxy]benzonitrile CAS Name: 2-chloro-6-[2-hydroxy-3-[[2-methyl-5-(3-pyridinyl)pentan-2-yl]amino]propoxy]benzonitrile IUPAC Name: 2-chloro-6-[2-hydroxy-3-[(2-methyl-5-pyridin-3-ylpentan-2-yl)amino]propoxy]benzonitrile Traditional Name: 2-chloro-6-[3-[[1,1-dimethyl-4-(3-pyridyl)butyl]amino]-2-hydroxy-propoxy]benzonitrile Formula: C21H26ClN3O2 MolecularWeight: 387.90304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC1=CN=CC=C1)NCC(COC2=C(C(=CC=C2)Cl)C#N)O

Isomeric SMILES

CC(C)(CCCC1=CN=CC=C1)NCC(COC2=C(C(=CC=C2)Cl)C#N)O

InChI

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