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

Systemtic Name: tert-butyl N-[5-(2,2-dimethylpropanoyl)-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[5-(2,2-dimethylpropanoyl)-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[5-(2,2-dimethyl-1-oxopropyl)-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-(2,2-dimethylpropanoyl)-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-(2-keto-5-pivaloyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamic acid tert-butyl ester Formula: C19H27N3O4 MolecularWeight: 361.43538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CC(C(=O)NC2=CC=CC=C21)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)N1CC(C(=O)NC2=CC=CC=C21)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H27N3O4/c1-18(2,3)16(24)22-11-13(21-17(25)26-19(4,5)6)15(23)20-12-9-7-8-10-14(12)22/h7-10,13H,11H2,1-6H3,(H,20,23)(H,21,25)