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1H-Dipyrazolo[3,4-b:4',3'-f]azepine, 4,5,8,9-tetrahydro-1,8-diphenyl-9-(phenylmethyl)-
SpectraBase Compound ID IOMQC3XZuSh
InChI InChI=1S/C27H23N5/c1-4-10-21(11-5-1)20-30-26-22(18-28-31(26)24-12-6-2-7-13-24)16-17-23-19-29-32(27(23)30)25-14-8-3-9-15-25/h1-15,18-19H,16-17,20H2
InChIKey YDGZXGKFEWZVOH-UHFFFAOYSA-N
Mol Weight 417.52 g/mol
Molecular Formula C27H23N5
Exact Mass 417.195346 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BV9cdycGXFX
Name 1H-Dipyrazolo[3,4-b:4',3'-f]azepine, 4,5,8,9-tetrahydro-1,8-diphenyl-9-(phenylmethyl)-
CAS Registry Number 126798-99-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23N5
InChI InChI=1S/C27H23N5/c1-4-10-21(11-5-1)20-30-26-22(18-28-31(26)24-12-6-2-7-13-24)16-17-23-19-29-32(27(23)30)25-14-8-3-9-15-25/h1-15,18-19H,16-17,20H2
InChIKey YDGZXGKFEWZVOH-UHFFFAOYSA-N
Molecular Weight 417.516 g/mol
SMILES c12N(c3c(CCc1cn[n]2-c1ccccc1)cn[n]3-c1ccccc1)Cc1ccccc1
SPLASH splash10-004l-9008500000-dbe8fd68d49469cb7c62
Source of Spectrum KC-1989-2097-7
Synonyms 9-Benzyl-1,8-diphenyl-4,5,8,9-tetrahydro-1H-dipyrazolo[3,4-b:4',3'-f]azepine 9-Benzyl-1,8-diphenyl-4,5,8,9-tetrahydro-1H-dipyrazolo[3,4-b:4,3-f]azepine
Wiley ID 1376913