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

Systemtic Name: tert-butyl 4-[3-cyclopropyl-6-fluoranyl-2-[(4-nitrophenyl)methyl]benzimidazol-5-yl]piperazine-1-carboxylate ethanoate Openeye Name: tert-butyl 4-[3-cyclopropyl-6-fluoro-2-[(4-nitrophenyl)methyl]benzimidazol-5-yl]piperazine-1-carboxylate acetate CAS Name: 4-[3-cyclopropyl-6-fluoro-2-[(4-nitrophenyl)methyl]-5-benzimidazolyl]-1-piperazinecarboxylic acid tert-butyl ester acetate IUPAC Name: tert-butyl 4-[3-cyclopropyl-6-fluoro-2-[(4-nitrophenyl)methyl]benzimidazol-5-yl]piperazine-1-carboxylate acetate Traditional Name: 4-[3-cyclopropyl-6-fluoro-2-(4-nitrobenzyl)benzimidazol-5-yl]piperazine-1-carboxylic acid tert-butyl ester acetate Formula: C28H33FN5O6- MolecularWeight: 554.589923

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C(=N3)CC4=CC=C(C=C4)[N+](=O)[O-])C5CC5)F

Isomeric SMILES

CC(=O)[O-].CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C(=N3)CC4=CC=C(C=C4)[N+](=O)[O-])C5CC5)F

InChI

InChI=1S/C26H30FN5O4.C2H4O2/c1-26(2,3)36-25(33)30-12-10-29(11-13-30)22-16-23-21(15-20(22)27)28-24(31(23)18-8-9-18)14-17-4-6-19(7-5-17)32(34)35;1-2(3)4/h4-7,15-16,18H,8-14H2,1-3H3;1H3,(H,3,4)/p-1