1-[(3R,3aR)-3-[4-(4-ethanoylpiperazin-1-yl)butyl]-8-fluoranyl-3-phenyl-3a,4-dihydropyrazolo[5,1-c][1,4]benzoxazin-2-yl]ethanone

Systemtic Name: 1-[(3R,3aR)-3-[4-(4-ethanoylpiperazin-1-yl)butyl]-8-fluoranyl-3-phenyl-3a,4-dihydropyrazolo[5,1-c][1,4]benzoxazin-2-yl]ethanone Openeye Name: 1-[(3R,3aR)-3-[4-(4-acetylpiperazin-1-yl)butyl]-8-fluoro-3-phenyl-3a,4-dihydropyrazolo[5,1-c][1,4]benzoxazin-2-yl]ethanone CAS Name: 1-[(3R,3aR)-3-[4-(4-acetyl-1-piperazinyl)butyl]-8-fluoro-3-phenyl-3a,4-dihydropyrazolo[5,1-c][1,4]benzoxazin-2-yl]ethanone IUPAC Name: 1-[(3R,3aR)-3-[4-(4-acetylpiperazin-1-yl)butyl]-8-fluoro-3-phenyl-3a,4-dihydropyrazolo[5,1-c][1,4]benzoxazin-2-yl]ethanone Traditional Name: 1-[(3R,3aR)-3-[4-(4-acetylpiperazino)butyl]-8-fluoro-3-phenyl-3a,4-dihydropyrazolo[5,1-c][1,4]benzoxazin-2-yl]ethanone Formula: C28H33FN4O3 MolecularWeight: 492.585023

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN2C(C1(CCCCN3CCN(CC3)C(=O)C)C4=CC=CC=C4)COC5=C2C=C(C=C5)F

Isomeric SMILES

CC(=O)C1=NN2[C@H]([C@@]1(CCCCN3CCN(CC3)C(=O)C)C4=CC=CC=C4)COC5=C2C=C(C=C5)F

InChI

InChI=1S/C28H33FN4O3/c1-20(34)27-28(22-8-4-3-5-9-22,12-6-7-13-31-14-16-32(17-15-31)21(2)35)26-19-36-25-11-10-23(29)18-24(25)33(26)30-27/h3-5,8-11,18,26H,6-7,12-17,19H2,1-2H3/t26-,28+/m0/s1