(3R,3aR)-8-fluoranyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-3a,4-dihydro-3H-pyrazolo[5,1-c][1,4]benzoxazine-2-carboxamide

Systemtic Name: (3R,3aR)-8-fluoranyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-3a,4-dihydro-3H-pyrazolo[5,1-c][1,4]benzoxazine-2-carboxamide Openeye Name: (3R,3aR)-8-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-3a,4-dihydro-3H-pyrazolo[5,1-c][1,4]benzoxazine-2-carboxamide CAS Name: (3R,3aR)-8-fluoro-N-methyl-N-[(1-methyl-4-pyrazolyl)methyl]-3-phenyl-3a,4-dihydro-3H-pyrazolo[5,1-c][1,4]benzoxazine-2-carboxamide IUPAC Name: (3R,3aR)-8-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-3a,4-dihydro-3H-pyrazolo[5,1-c][1,4]benzoxazine-2-carboxamide Traditional Name: (3R,3aR)-8-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-3a,4-dihydro-3H-pyrazolo[5,1-c][1,4]benzoxazine-2-carboxamide Formula: C23H22FN5O2 MolecularWeight: 419.451483

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN(C)C(=O)C2=NN3C(C2C4=CC=CC=C4)COC5=C3C=C(C=C5)F

Isomeric SMILES

CN1C=C(C=N1)CN(C)C(=O)C2=NN3[C@H]([C@H]2C4=CC=CC=C4)COC5=C3C=C(C=C5)F

InChI

InChI=1S/C23H22FN5O2/c1-27(12-15-11-25-28(2)13-15)23(30)22-21(16-6-4-3-5-7-16)19-14-31-20-9-8-17(24)10-18(20)29(19)26-22/h3-11,13,19,21H,12,14H2,1-2H3/t19-,21+/m0/s1