4,4,4-tris(fluoranyl)-3-methyl-N-[1-oxidanylidene-1-[[2-oxidanylidene-5-phenyl-1-[4,4,4-tris(fluoranyl)butyl]-3H-1,4-benzodiazepin-3-yl]amino]propan-2-yl]butanamide

Systemtic Name: 4,4,4-tris(fluoranyl)-3-methyl-N-[1-oxidanylidene-1-[[2-oxidanylidene-5-phenyl-1-[4,4,4-tris(fluoranyl)butyl]-3H-1,4-benzodiazepin-3-yl]amino]propan-2-yl]butanamide Openeye Name: 4,4,4-trifluoro-3-methyl-N-[1-methyl-2-oxo-2-[[2-oxo-5-phenyl-1-(4,4,4-trifluorobutyl)-3H-1,4-benzodiazepin-3-yl]amino]ethyl]butanamide CAS Name: 4,4,4-trifluoro-3-methyl-N-[1-oxo-1-[[2-oxo-5-phenyl-1-(4,4,4-trifluorobutyl)-3H-1,4-benzodiazepin-3-yl]amino]propan-2-yl]butanamide IUPAC Name: 4,4,4-trifluoro-3-methyl-N-[1-oxo-1-[[2-oxo-5-phenyl-1-(4,4,4-trifluorobutyl)-3H-1,4-benzodiazepin-3-yl]amino]propan-2-yl]butanamide Traditional Name: 4,4,4-trifluoro-N-[2-keto-2-[[2-keto-5-phenyl-1-(4,4,4-trifluorobutyl)-3H-1,4-benzodiazepin-3-yl]amino]-1-methyl-ethyl]-3-methyl-butyramide Formula: C27H28F6N4O3 MolecularWeight: 570.526639

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC(C)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CCCC(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(CC(=O)NC(C)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CCCC(F)(F)F)C(F)(F)F

InChI

InChI=1S/C27H28F6N4O3/c1-16(27(31,32)33)15-21(38)34-17(2)24(39)36-23-25(40)37(14-8-13-26(28,29)30)20-12-7-6-11-19(20)22(35-23)18-9-4-3-5-10-18/h3-7,9-12,16-17,23H,8,13-15H2,1-2H3,(H,34,38)(H,36,39)