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: 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: 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: 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: 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: 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: C27H31F3N4O3 MolecularWeight: 516.55525

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31F3N4O3/c1-17(2)16-22(35)31-18(3)25(36)33-24-26(37)34(15-9-14-27(28,29)30)21-13-8-7-12-20(21)23(32-24)19-10-5-4-6-11-19/h4-8,10-13,17-18,24H,9,14-16H2,1-3H3,(H,31,35)(H,33,36)