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

Systemtic Name: tert-butyl N-[1-(2,2-dimethylpropanoyl)-7-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[1-(2,2-dimethylpropanoyl)-7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[1-(2,2-dimethyl-1-oxopropyl)-7-methyl-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-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-(4-keto-7-methyl-1-pivaloyl-3,5-dihydro-2H-1,5-benzodiazepin-3-yl)carbamic acid tert-butyl ester Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2)NC(=O)OC(C)(C)C)C(=O)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2)NC(=O)OC(C)(C)C)C(=O)C(C)(C)C

InChI

InChI=1S/C20H29N3O4/c1-12-8-9-15-13(10-12)21-16(24)14(22-18(26)27-20(5,6)7)11-23(15)17(25)19(2,3)4/h8-10,14H,11H2,1-7H3,(H,21,24)(H,22,26)