tert-butyl 7-[2-(4-azanyl-1,2,5-oxadiazol-3-yl)-6-fluoranyl-benzimidazol-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 7-[2-(4-azanyl-1,2,5-oxadiazol-3-yl)-6-fluoranyl-benzimidazol-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-fluoro-benzimidazol-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-fluoro-1-benzimidazolyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-fluorobenzimidazol-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-[2-(4-aminofurazan-3-yl)-6-fluoro-benzimidazol-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C23H23FN6O3 MolecularWeight: 450.465523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)N3C4=C(C=CC(=C4)F)N=C3C5=NON=C5N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)N3C4=C(C=CC(=C4)F)N=C3C5=NON=C5N

InChI

InChI=1S/C23H23FN6O3/c1-23(2,3)32-22(31)29-9-8-13-4-6-16(10-14(13)12-29)30-18-11-15(24)5-7-17(18)26-21(30)19-20(25)28-33-27-19/h4-7,10-11H,8-9,12H2,1-3H3,(H2,25,28)