N-[2-[[3-(3-chloranyl-2-cyano-phenoxy)-2-oxidanyl-propyl]amino]-2-methyl-propyl]benzamide

Systemtic Name: N-[2-[[3-(3-chloranyl-2-cyano-phenoxy)-2-oxidanyl-propyl]amino]-2-methyl-propyl]benzamide Openeye Name: N-[2-[[3-(3-chloro-2-cyano-phenoxy)-2-hydroxy-propyl]amino]-2-methyl-propyl]benzamide CAS Name: N-[2-[[3-(3-chloro-2-cyanophenoxy)-2-hydroxypropyl]amino]-2-methylpropyl]benzamide IUPAC Name: N-[2-[[3-(3-chloro-2-cyanophenoxy)-2-hydroxypropyl]amino]-2-methylpropyl]benzamide Traditional Name: N-[2-[[3-(3-chloro-2-cyano-phenoxy)-2-hydroxy-propyl]amino]-2-methyl-propyl]benzamide Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O3/c1-21(2,14-24-20(27)15-7-4-3-5-8-15)25-12-16(26)13-28-19-10-6-9-18(22)17(19)11-23/h3-10,16,25-26H,12-14H2,1-2H3,(H,24,27)