N-tert-butyl-2-[2-chloranyl-4-[[[4-(4-ethanoylpiperazin-1-yl)phenyl]amino]methyl]-6-ethoxy-phenoxy]ethanamide

Systemtic Name: N-tert-butyl-2-[2-chloranyl-4-[[[4-(4-ethanoylpiperazin-1-yl)phenyl]amino]methyl]-6-ethoxy-phenoxy]ethanamide Openeye Name: 2-[4-[[4-(4-acetylpiperazin-1-yl)anilino]methyl]-2-chloro-6-ethoxy-phenoxy]-N-tert-butyl-acetamide CAS Name: 2-[4-[[4-(4-acetyl-1-piperazinyl)anilino]methyl]-2-chloro-6-ethoxyphenoxy]-N-tert-butylacetamide IUPAC Name: 2-[4-[[4-(4-acetylpiperazin-1-yl)anilino]methyl]-2-chloro-6-ethoxyphenoxy]-N-tert-butylacetamide Traditional Name: 2-[4-[[4-(4-acetylpiperazino)anilino]methyl]-2-chloro-6-ethoxy-phenoxy]-N-tert-butyl-acetamide Formula: C27H37ClN4O4 MolecularWeight: 517.06008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)N3CCN(CC3)C(=O)C)Cl)OCC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)N3CCN(CC3)C(=O)C)Cl)OCC(=O)NC(C)(C)C

InChI

InChI=1S/C27H37ClN4O4/c1-6-35-24-16-20(15-23(28)26(24)36-18-25(34)30-27(3,4)5)17-29-21-7-9-22(10-8-21)32-13-11-31(12-14-32)19(2)33/h7-10,15-16,29H,6,11-14,17-18H2,1-5H3,(H,30,34)