1-[(3R,3aR)-8-fluoranyl-3-[3-[4-[(5-methyl-1,2-oxazol-3-yl)carbonyl]piperazin-1-yl]propyl]-3-phenyl-3a,4-dihydropyrazolo[5,1-c][1,4]benzoxazin-2-yl]ethanone

Systemtic Name: 1-[(3R,3aR)-8-fluoranyl-3-[3-[4-[(5-methyl-1,2-oxazol-3-yl)carbonyl]piperazin-1-yl]propyl]-3-phenyl-3a,4-dihydropyrazolo[5,1-c][1,4]benzoxazin-2-yl]ethanone Openeye Name: 1-[(3R,3aR)-8-fluoro-3-[3-[4-(5-methylisoxazole-3-carbonyl)piperazin-1-yl]propyl]-3-phenyl-3a,4-dihydropyrazolo[5,1-c][1,4]benzoxazin-2-yl]ethanone CAS Name: 1-[(3R,3aR)-8-fluoro-3-[3-[4-[(5-methyl-3-isoxazolyl)-oxomethyl]-1-piperazinyl]propyl]-3-phenyl-3a,4-dihydropyrazolo[5,1-c][1,4]benzoxazin-2-yl]ethanone IUPAC Name: 1-[(3R,3aR)-8-fluoro-3-[3-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]propyl]-3-phenyl-3a,4-dihydropyrazolo[5,1-c][1,4]benzoxazin-2-yl]ethanone Traditional Name: 1-[(3R,3aR)-8-fluoro-3-[3-[4-(5-methylisoxazole-3-carbonyl)piperazino]propyl]-3-phenyl-3a,4-dihydropyrazolo[5,1-c][1,4]benzoxazin-2-yl]ethanone Formula: C30H32FN5O4 MolecularWeight: 545.604583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)N2CCN(CC2)CCCC3(C4COC5=C(N4N=C3C(=O)C)C=C(C=C5)F)C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=NO1)C(=O)N2CCN(CC2)CCC[C@]3([C@@H]4COC5=C(N4N=C3C(=O)C)C=C(C=C5)F)C6=CC=CC=C6

InChI

InChI=1S/C30H32FN5O4/c1-20-17-24(33-40-20)29(38)35-15-13-34(14-16-35)12-6-11-30(22-7-4-3-5-8-22)27-19-39-26-10-9-23(31)18-25(26)36(27)32-28(30)21(2)37/h3-5,7-10,17-18,27H,6,11-16,19H2,1-2H3/t27-,30+/m0/s1