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N-(Azocan-1-yl)-1-(2,4-dichlorophenyl)-1,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazole-3-carboxamide
SpectraBase Compound ID 4HPzjf7FNnl
InChI InChI=1S/C26H28Cl2N4O/c27-19-13-14-23(22(28)17-19)32-25-20-11-5-4-9-18(20)10-8-12-21(25)24(29-32)26(33)30-31-15-6-2-1-3-7-16-31/h4-5,9,11,13-14,17H,1-3,6-8,10,12,15-16H2,(H,30,33)
InChIKey QCOMLRZRTFWNRD-UHFFFAOYSA-N
Mol Weight 483.44 g/mol
Molecular Formula C26H28Cl2N4O
Exact Mass 482.164017 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGj9nXpQoSQ
Name N-(Azocan-1-yl)-1-(2,4-dichlorophenyl)-1,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazole-3-carboxamide
Alternate Name(s) 1-(2,4-dichlorophenyl)-N-hexahydro-1(2H)-azocinyl-1,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazole-3-carboxamide N-(1-azocanyl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-benzo[1,2]cyclohepta[3,4-b]pyrazole-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28Cl2N4O
InChI InChI=1S/C26H28Cl2N4O/c27-19-13-14-23(22(28)17-19)32-25-20-11-5-4-9-18(20)10-8-12-21(25)24(29-32)26(33)30-31-15-6-2-1-3-7-16-31/h4-5,9,11,13-14,17H,1-3,6-8,10,12,15-16H2,(H,30,33)
InChIKey QCOMLRZRTFWNRD-UHFFFAOYSA-N
Molecular Weight 483.443 g/mol
SMILES N(C(c1n[n](c-2c1CCCc1c2cccc1)-c1c(cc(cc1)Cl)Cl)=O)N1CCCCCCC1
SPLASH splash10-08fr-0906100000-550b707f84f45f378813
Source of Spectrum E2-50-1112-22
Wiley ID 1555913