2-[[3-[[bis(2-oxidanylpropyl)amino]methyl]phenyl]carbonylamino]-N-[(E)-[4-chloranyl-3-(trifluoromethyl)phenyl]methylideneamino]-5-(3-morpholin-4-yl-2-oxidanyl-propoxy)benzamide

Systemtic Name: 2-[[3-[[bis(2-oxidanylpropyl)amino]methyl]phenyl]carbonylamino]-N-[(E)-[4-chloranyl-3-(trifluoromethyl)phenyl]methylideneamino]-5-(3-morpholin-4-yl-2-oxidanyl-propoxy)benzamide Openeye Name: 2-[[3-[[bis(2-hydroxypropyl)amino]methyl]benzoyl]amino]-N-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methyleneamino]-5-(2-hydroxy-3-morpholino-propoxy)benzamide CAS Name: 2-[[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]-oxomethyl]amino]-N-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methylideneamino]-5-[2-hydroxy-3-(4-morpholinyl)propoxy]benzamide IUPAC Name: 2-[[3-[[bis(2-hydroxypropyl)amino]methyl]benzoyl]amino]-N-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methylideneamino]-5-(2-hydroxy-3-morpholin-4-ylpropoxy)benzamide Traditional Name: 2-[[3-[[bis(2-hydroxypropyl)amino]methyl]benzoyl]amino]-N-[(E)-[4-chloro-3-(trifluoromethyl)benzylidene]amino]-5-(2-hydroxy-3-morpholino-propoxy)benzamide Formula: C36H43ClF3N5O7 MolecularWeight: 750.20413

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CC1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)OCC(CN3CCOCC3)O)C(=O)NN=CC4=CC(=C(C=C4)Cl)C(F)(F)F)CC(C)O)O

Isomeric SMILES

CC(CN(CC1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)OCC(CN3CCOCC3)O)C(=O)N/N=C/C4=CC(=C(C=C4)Cl)C(F)(F)F)CC(C)O)O

InChI

InChI=1S/C36H43ClF3N5O7/c1-23(46)18-45(19-24(2)47)20-26-4-3-5-27(14-26)34(49)42-33-9-7-29(52-22-28(48)21-44-10-12-51-13-11-44)16-30(33)35(50)43-41-17-25-6-8-32(37)31(15-25)36(38,39)40/h3-9,14-17,23-24,28,46-48H,10-13,18-22H2,1-2H3,(H,42,49)(H,43,50)/b41-17+