tert-butyl 2-[3-(7-chloranyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-5H-1,2,4-oxadiazol-4-yl]-2-(methylamino)ethanoate

Systemtic Name: tert-butyl 2-[3-(7-chloranyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-5H-1,2,4-oxadiazol-4-yl]-2-(methylamino)ethanoate Openeye Name: tert-butyl 2-[3-(7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-5H-1,2,4-oxadiazol-4-yl]-2-(methylamino)acetate CAS Name: 2-[3-(7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-5H-1,2,4-oxadiazol-4-yl]-2-(methylamino)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-5H-1,2,4-oxadiazol-4-yl]-2-(methylamino)acetate Traditional Name: 2-[3-(7-chloro-6-keto-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-5H-1,2,4-oxadiazol-4-yl]-2-(methylamino)acetic acid tert-butyl ester Formula: C21H25ClN6O4 MolecularWeight: 460.914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(NC)N1CON=C1C2=C3CN(C(=O)C4=C(N3C=N2)C=CC=C4Cl)C

Isomeric SMILES

CC(C)(C)OC(=O)C(NC)N1CON=C1C2=C3CN(C(=O)C4=C(N3C=N2)C=CC=C4Cl)C

InChI

InChI=1S/C21H25ClN6O4/c1-21(2,3)32-20(30)18(23-4)28-11-31-25-17(28)16-14-9-26(5)19(29)15-12(22)7-6-8-13(15)27(14)10-24-16/h6-8,10,18,23H,9,11H2,1-5H3