tert-butyl 4-[3-cyclopropyl-6-fluoranyl-2-[2-[(4-nitrophenyl)methoxy]-2-oxidanylidene-ethyl]benzimidazol-5-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-cyclopropyl-6-fluoranyl-2-[2-[(4-nitrophenyl)methoxy]-2-oxidanylidene-ethyl]benzimidazol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-cyclopropyl-6-fluoro-2-[2-[(4-nitrophenyl)methoxy]-2-oxo-ethyl]benzimidazol-5-yl]piperazine-1-carboxylate CAS Name: 4-[3-cyclopropyl-6-fluoro-2-[2-[(4-nitrophenyl)methoxy]-2-oxoethyl]-5-benzimidazolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-cyclopropyl-6-fluoro-2-[2-[(4-nitrophenyl)methoxy]-2-oxoethyl]benzimidazol-5-yl]piperazine-1-carboxylate Traditional Name: 4-[3-cyclopropyl-6-fluoro-2-[2-keto-2-(4-nitrobenzyl)oxy-ethyl]benzimidazol-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H32FN5O6 MolecularWeight: 553.581983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C(=N3)CC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C5CC5)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C(=N3)CC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C5CC5)F

InChI

InChI=1S/C28H32FN5O6/c1-28(2,3)40-27(36)32-12-10-31(11-13-32)23-15-24-22(14-21(23)29)30-25(33(24)19-8-9-19)16-26(35)39-17-18-4-6-20(7-5-18)34(37)38/h4-7,14-15,19H,8-13,16-17H2,1-3H3