5-[4-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-2-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]benzamide

Systemtic Name: 5-[4-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-2-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]benzamide Openeye Name: 2-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]-5-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]benzamide CAS Name: 2-[2-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]ethoxy]-5-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]benzamide IUPAC Name: 2-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]-5-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]benzamide Traditional Name: 2-[2-[4-[bis(4-fluorophenyl)methyl]piperazino]ethoxy]-5-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]benzamide Formula: C31H33F2N5O4 MolecularWeight: 577.621626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=C(C=C(C=C2)C#CCCN(C(=O)N)O)C(=O)N)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1CCOC2=C(C=C(C=C2)C#CCCN(C(=O)N)O)C(=O)N)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C31H33F2N5O4/c32-25-9-5-23(6-10-25)29(24-7-11-26(33)12-8-24)37-17-15-36(16-18-37)19-20-42-28-13-4-22(21-27(28)30(34)39)3-1-2-14-38(41)31(35)40/h4-13,21,29,41H,2,14-20H2,(H2,34,39)(H2,35,40)