tert-butyl 4-[1-ethanoyl-4-(3-fluorophenyl)indazol-5-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-ethanoyl-4-(3-fluorophenyl)indazol-5-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-acetyl-4-(3-fluorophenyl)indazole-5-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-acetyl-4-(3-fluorophenyl)-5-indazolyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-acetyl-4-(3-fluorophenyl)indazole-5-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-acetyl-4-(3-fluorophenyl)indazole-5-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H27FN4O4 MolecularWeight: 466.504683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=C(C=N1)C(=C(C=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C4=CC(=CC=C4)F

Isomeric SMILES

CC(=O)N1C2=C(C=N1)C(=C(C=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H27FN4O4/c1-16(31)30-21-9-8-19(22(20(21)15-27-30)17-6-5-7-18(26)14-17)23(32)28-10-12-29(13-11-28)24(33)34-25(2,3)4/h5-9,14-15H,10-13H2,1-4H3