N-(2-morpholin-4-ylethyl)-2-[4-(phenylmethyl)piperazin-1-yl]-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide

Systemtic Name: N-(2-morpholin-4-ylethyl)-2-[4-(phenylmethyl)piperazin-1-yl]-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-(2-morpholinoethyl)-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide CAS Name: N-[2-(4-morpholinyl)ethyl]-5-[[oxo-[2-(trifluoromethyl)anilino]methyl]amino]-2-[4-(phenylmethyl)-1-piperazinyl]benzamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide Traditional Name: 2-(4-benzylpiperazino)-N-(2-morpholinoethyl)-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide Formula: C32H37F3N6O3 MolecularWeight: 610.66979

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)NC(=O)NC4=CC=CC=C4C(F)(F)F)C(=O)NCCN5CCOCC5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)NC(=O)NC4=CC=CC=C4C(F)(F)F)C(=O)NCCN5CCOCC5

InChI

InChI=1S/C32H37F3N6O3/c33-32(34,35)27-8-4-5-9-28(27)38-31(43)37-25-10-11-29(26(22-25)30(42)36-12-13-39-18-20-44-21-19-39)41-16-14-40(15-17-41)23-24-6-2-1-3-7-24/h1-11,22H,12-21,23H2,(H,36,42)(H2,37,38,43)