N-[3-[[ethanoyl-[4-oxidanyl-3-(piperazin-1-ylmethyl)phenyl]amino]methyl]-4-oxidanyl-phenyl]ethanamide

Systemtic Name: N-[3-[[ethanoyl-[4-oxidanyl-3-(piperazin-1-ylmethyl)phenyl]amino]methyl]-4-oxidanyl-phenyl]ethanamide Openeye Name: N-[3-[[N-acetyl-4-hydroxy-3-(piperazin-1-ylmethyl)anilino]methyl]-4-hydroxy-phenyl]acetamide CAS Name: N-[3-[[N-acetyl-4-hydroxy-3-(1-piperazinylmethyl)anilino]methyl]-4-hydroxyphenyl]acetamide IUPAC Name: N-[3-[[N-acetyl-4-hydroxy-3-(piperazin-1-ylmethyl)anilino]methyl]-4-hydroxyphenyl]acetamide Traditional Name: N-[3-[[N-acetyl-4-hydroxy-3-(piperazinomethyl)anilino]methyl]-4-hydroxy-phenyl]acetamide Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)O)CN(C2=CC(=C(C=C2)O)CN3CCNCC3)C(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)O)CN(C2=CC(=C(C=C2)O)CN3CCNCC3)C(=O)C

InChI

InChI=1S/C22H28N4O4/c1-15(27)24-19-3-5-21(29)17(11-19)14-26(16(2)28)20-4-6-22(30)18(12-20)13-25-9-7-23-8-10-25/h3-6,11-12,23,29-30H,7-10,13-14H2,1-2H3,(H,24,27)