tert-butyl 4-[4-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-1,2,3-triazol-1-yl]-2,6-bis(fluoranyl)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-1,2,3-triazol-1-yl]-2,6-bis(fluoranyl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[4-[(1,3-dioxoisoindolin-2-yl)methyl]triazol-1-yl]-2,6-difluoro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[4-[(1,3-dioxo-2-isoindolyl)methyl]-1-triazolyl]-2,6-difluorophenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[4-[(1,3-dioxoisoindol-2-yl)methyl]triazol-1-yl]-2,6-difluorophenyl]piperazine-1-carboxylate Traditional Name: 4-[2,6-difluoro-4-[4-(phthalimidomethyl)triazol-1-yl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H26F2N6O4 MolecularWeight: 524.519246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2F)N3C=C(N=N3)CN4C(=O)C5=CC=CC=C5C4=O)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2F)N3C=C(N=N3)CN4C(=O)C5=CC=CC=C5C4=O)F

InChI

InChI=1S/C26H26F2N6O4/c1-26(2,3)38-25(37)32-10-8-31(9-11-32)22-20(27)12-17(13-21(22)28)34-15-16(29-30-34)14-33-23(35)18-6-4-5-7-19(18)24(33)36/h4-7,12-13,15H,8-11,14H2,1-3H3