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1-(2,4-Dichlorophenyl)-N-(hexahydro-1H-azepin-1-yl)-1,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazole-3-carboxamide

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1-(2,4-Dichlorophenyl)-N-(hexahydro-1H-azepin-1-yl)-1,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazole-3-carboxamide
SpectraBase Compound ID 3TTHu9OUnih
InChI InChI=1S/C25H26Cl2N4O/c26-18-12-13-22(21(27)16-18)31-24-19-10-4-3-8-17(19)9-7-11-20(24)23(28-31)25(32)29-30-14-5-1-2-6-15-30/h3-4,8,10,12-13,16H,1-2,5-7,9,11,14-15H2,(H,29,32)
InChIKey SOOXUYVUSCIOLU-UHFFFAOYSA-N
Mol Weight 469.42 g/mol
Molecular Formula C25H26Cl2N4O
Exact Mass 468.148367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98EgJOwJ16M
Name 1-(2,4-Dichlorophenyl)-N-(hexahydro-1H-azepin-1-yl)-1,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazole-3-carboxamide
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Formula C25H26Cl2N4O
InChI InChI=1S/C25H26Cl2N4O/c26-18-12-13-22(21(27)16-18)31-24-19-10-4-3-8-17(19)9-7-11-20(24)23(28-31)25(32)29-30-14-5-1-2-6-15-30/h3-4,8,10,12-13,16H,1-2,5-7,9,11,14-15H2,(H,29,32)
InChIKey SOOXUYVUSCIOLU-UHFFFAOYSA-N
Molecular Weight 469.416 g/mol
SMILES N(C(c1n[n](c-2c1CCCc1c2cccc1)-c1c(cc(cc1)Cl)Cl)=O)N1CCCCCC1
SPLASH splash10-0002-9002100000-40a4046a5f6d3aa38dce
Source of Spectrum E2-50-1111-8
Synonyms N-(1-azepanyl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-benzo[1,2]cyclohepta[3,4-b]pyrazole-3-carboxamide
Wiley ID 1555920