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Formula C26H30N6O3
IUPAC Name methanone; 4-(4-methylpiperazin-1-yl)-n-[5-(2-phenylacetyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide
Molecular Mass 474.555 g·mol−1
Heat of Formation 58.7 ± 16.7 kJ·mol−1
Dipole Moment 1.33 ± 1.08 D
Volume 563.12 Å 3
Surface Area 493.16 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • n-[5-[(2r)-2-methoxy-1-oxo-2-phenylethyl]-4,6-dihydro-1h-pyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methyl-1-piperazinyl)benzamide
  • n-[5-[(2r)-2-methoxy-2-phenyl-acetyl]-4,6-dihydro-1h-pyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
  • n-[5-[(2r)-2-methoxy-2-phenyl-ethanoyl]-4,6-dihydro-1h-pyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
  • n-[5-[(2r)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1h-pyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
InChIKey XKFTZKGMDDZMJI-HSZRJFAPSA-N
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