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

Systemtic Name: tert-butyl N-[1-(2,2-dimethylbutanoyl)-7-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[1-(2,2-dimethylbutanoyl)-7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[1-(2,2-dimethyl-1-oxobutyl)-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-dimethylbutanoyl)-7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-(2,2-dimethylbutanoyl)-4-keto-7-methyl-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O4/c1-8-21(6,7)18(26)24-12-15(23-19(27)28-20(3,4)5)17(25)22-14-11-13(2)9-10-16(14)24/h9-11,15H,8,12H2,1-7H3,(H,22,25)(H,23,27)