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

Systemtic Name: tert-butyl N-[1-(3,3-dimethylbutanoyl)-7-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[1-(3,3-dimethylbutanoyl)-7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[1-(3,3-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-(3,3-dimethylbutanoyl)-7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-(3,3-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O4/c1-13-8-9-16-14(10-13)22-18(26)15(23-19(27)28-21(5,6)7)12-24(16)17(25)11-20(2,3)4/h8-10,15H,11-12H2,1-7H3,(H,22,26)(H,23,27)