1-[(3S,3aS)-3-(4-azanylbutyl)-8-fluoranyl-3-phenyl-3a,4-dihydropyrazolo[5,1-c][1,4]benzoxazin-2-yl]ethanone

Systemtic Name: 1-[(3S,3aS)-3-(4-azanylbutyl)-8-fluoranyl-3-phenyl-3a,4-dihydropyrazolo[5,1-c][1,4]benzoxazin-2-yl]ethanone Openeye Name: 1-[(3S,3aS)-3-(4-aminobutyl)-8-fluoro-3-phenyl-3a,4-dihydropyrazolo[5,1-c][1,4]benzoxazin-2-yl]ethanone CAS Name: 1-[(3S,3aS)-3-(4-aminobutyl)-8-fluoro-3-phenyl-3a,4-dihydropyrazolo[5,1-c][1,4]benzoxazin-2-yl]ethanone IUPAC Name: 1-[(3S,3aS)-3-(4-aminobutyl)-8-fluoro-3-phenyl-3a,4-dihydropyrazolo[5,1-c][1,4]benzoxazin-2-yl]ethanone Traditional Name: 1-[(3S,3aS)-3-(4-aminobutyl)-8-fluoro-3-phenyl-3a,4-dihydropyrazolo[5,1-c][1,4]benzoxazin-2-yl]ethanone Formula: C22H24FN3O2 MolecularWeight: 381.443263

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN2C(C1(CCCCN)C3=CC=CC=C3)COC4=C2C=C(C=C4)F

Isomeric SMILES

CC(=O)C1=NN2[C@@H]([C@]1(CCCCN)C3=CC=CC=C3)COC4=C2C=C(C=C4)F

InChI

InChI=1S/C22H24FN3O2/c1-15(27)21-22(11-5-6-12-24,16-7-3-2-4-8-16)20-14-28-19-10-9-17(23)13-18(19)26(20)25-21/h2-4,7-10,13,20H,5-6,11-12,14,24H2,1H3/t20-,22+/m1/s1