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

Systemtic Name: (phenylmethyl) N-[5-(2,2-dimethylpropanoyl)-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CC(C(=O)NC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)N1CC(C(=O)NC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4/c1-22(2,3)20(27)25-13-17(19(26)23-16-11-7-8-12-18(16)25)24-21(28)29-14-15-9-5-4-6-10-15/h4-12,17H,13-14H2,1-3H3,(H,23,26)(H,24,28)