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

Systemtic Name: tert-butyl N-[1-(2,2-dimethylpropanoyl)-4-oxidanylidene-5-phenacyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[1-(2,2-dimethylpropanoyl)-4-oxo-5-phenacyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[1-(2,2-dimethyl-1-oxopropyl)-4-oxo-5-phenacyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2,2-dimethylpropanoyl)-4-oxo-5-phenacyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-(4-keto-5-phenacyl-1-pivaloyl-2,3-dihydro-1,5-benzodiazepin-3-yl)carbamic acid tert-butyl ester Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CC(C(=O)N(C2=CC=CC=C21)CC(=O)C3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)N1CC(C(=O)N(C2=CC=CC=C21)CC(=O)C3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H33N3O5/c1-26(2,3)24(33)30-16-19(28-25(34)35-27(4,5)6)23(32)29(20-14-10-11-15-21(20)30)17-22(31)18-12-8-7-9-13-18/h7-15,19H,16-17H2,1-6H3,(H,28,34)