tert-butyl N-[1-(2,2-dimethylpropanoyl)-7-fluoranyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-(2,2-dimethylpropanoyl)-7-fluoranyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[1-(2,2-dimethylpropanoyl)-7-fluoro-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[1-(2,2-dimethyl-1-oxopropyl)-7-fluoro-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2,2-dimethylpropanoyl)-7-fluoro-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-(7-fluoro-4-keto-1-pivaloyl-3,5-dihydro-2H-1,5-benzodiazepin-3-yl)carbamic acid tert-butyl ester Formula: C19H26FN3O4 MolecularWeight: 379.425843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CC(C(=O)NC2=C1C=CC(=C2)F)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)N1CC(C(=O)NC2=C1C=CC(=C2)F)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H26FN3O4/c1-18(2,3)16(25)23-10-13(22-17(26)27-19(4,5)6)15(24)21-12-9-11(20)7-8-14(12)23/h7-9,13H,10H2,1-6H3,(H,21,24)(H,22,26)