3,4-Dihydro-N-(5-methyl-3-isoxazolyl)-α-phenyl-1(2H)-quinolineacetamide
C21H21N3O2
1031496-06-6 Copyright (C) 2025 ACS
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    4.0012    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6687    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    6.9302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9713    5.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <cas.rn>
1031496-06-6

> <ca.index.name>
1(2H)-Quinolineacetamide, 3,4-dihydro-N-(5-methyl-3-isoxazolyl)-α-phenyl-

> <molecular.formula>
C21H21N3O2

> <smiles.canonical>
O=C(NC1=NOC(=C1)C)C(C=2C=CC=CC2)N3C=4C=CC=CC4CCC3

> <molecular.weight>
347.41

> <boiling.point.predicted>
608.695±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.258±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
11.544±0.70    Most Acidic Temp: 25 °C

$$$$
