3-[[3,5-bis(trifluoromethyl)phenyl]carbonyl-methyl-amino]-N-(2-oxidanylideneazepan-3-yl)-4-phenyl-benzamide

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]carbonyl-methyl-amino]-N-(2-oxidanylideneazepan-3-yl)-4-phenyl-benzamide Openeye Name: 3-[[3,5-bis(trifluoromethyl)benzoyl]-methyl-amino]-N-(2-oxoazepan-3-yl)-4-phenyl-benzamide CAS Name: 3-[[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]-methylamino]-N-(2-oxo-3-azepanyl)-4-phenylbenzamide IUPAC Name: 3-[[3,5-bis(trifluoromethyl)benzoyl]-methylamino]-N-(2-oxoazepan-3-yl)-4-phenylbenzamide Traditional Name: 3-[[3,5-bis(trifluoromethyl)benzoyl]-methyl-amino]-N-(2-ketoazepan-3-yl)-4-phenyl-benzamide Formula: C29H25F6N3O3 MolecularWeight: 577.517519

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=CC(=C1)C(=O)NC2CCCCNC2=O)C3=CC=CC=C3)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN(C1=C(C=CC(=C1)C(=O)NC2CCCCNC2=O)C3=CC=CC=C3)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C29H25F6N3O3/c1-38(27(41)19-13-20(28(30,31)32)16-21(14-19)29(33,34)35)24-15-18(10-11-22(24)17-7-3-2-4-8-17)25(39)37-23-9-5-6-12-36-26(23)40/h2-4,7-8,10-11,13-16,23H,5-6,9,12H2,1H3,(H,36,40)(H,37,39)