N-[4-[3-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanamide

Systemtic Name: N-[4-[3-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanamide Openeye Name: N-[4-[3-[4-(3-chloro-4-methyl-phenyl)piperazin-1-yl]-2-hydroxy-propoxy]phenyl]acetamide CAS Name: N-[4-[3-[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]acetamide IUPAC Name: N-[4-[3-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide Traditional Name: N-[4-[3-[4-(3-chloro-4-methyl-phenyl)piperazino]-2-hydroxy-propoxy]phenyl]acetamide Formula: C22H28ClN3O3 MolecularWeight: 417.92902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)NC(=O)C)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)NC(=O)C)O)Cl

InChI

InChI=1S/C22H28ClN3O3/c1-16-3-6-19(13-22(16)23)26-11-9-25(10-12-26)14-20(28)15-29-21-7-4-18(5-8-21)24-17(2)27/h3-8,13,20,28H,9-12,14-15H2,1-2H3,(H,24,27)