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

Systemtic Name: N-[2-[3-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]-2-oxidanyl-propoxy]-5-cyano-phenyl]ethanamide Openeye Name: N-[2-[3-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-hydroxy-propoxy]-5-cyano-phenyl]acetamide CAS Name: N-[2-[3-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]-2-hydroxypropoxy]-5-cyanophenyl]acetamide IUPAC Name: N-[2-[3-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-hydroxypropoxy]-5-cyanophenyl]acetamide Traditional Name: N-[2-[3-[4-(4-chlorobenzoyl)piperazino]-2-hydroxy-propoxy]-5-cyano-phenyl]acetamide Formula: C23H25ClN4O4 MolecularWeight: 456.922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C#N)OCC(CN2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C#N)OCC(CN2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C23H25ClN4O4/c1-16(29)26-21-12-17(13-25)2-7-22(21)32-15-20(30)14-27-8-10-28(11-9-27)23(31)18-3-5-19(24)6-4-18/h2-7,12,20,30H,8-11,14-15H2,1H3,(H,26,29)