N-[2-[3-[3-(4-chloranylphenoxy)pyrrolidin-1-yl]-2-oxidanyl-propoxy]-5-cyano-phenyl]ethanamide

Systemtic Name: N-[2-[3-[3-(4-chloranylphenoxy)pyrrolidin-1-yl]-2-oxidanyl-propoxy]-5-cyano-phenyl]ethanamide Openeye Name: N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxy-propoxy]-5-cyano-phenyl]acetamide CAS Name: N-[2-[3-[3-(4-chlorophenoxy)-1-pyrrolidinyl]-2-hydroxypropoxy]-5-cyanophenyl]acetamide IUPAC Name: N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-cyanophenyl]acetamide Traditional Name: N-[2-[3-[3-(4-chlorophenoxy)pyrrolidino]-2-hydroxy-propoxy]-5-cyano-phenyl]acetamide Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C#N)OCC(CN2CCC(C2)OC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C#N)OCC(CN2CCC(C2)OC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C22H24ClN3O4/c1-15(27)25-21-10-16(11-24)2-7-22(21)29-14-18(28)12-26-9-8-20(13-26)30-19-5-3-17(23)4-6-19/h2-7,10,18,20,28H,8-9,12-14H2,1H3,(H,25,27)