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N-Cyclohexyl-2,3-dicyano-7-methyl-5,7-diphenyl-4,5,6,7-tetrahydro-1H-1,4-diazepine-5-carboxamide
SpectraBase Compound ID 4CzHqxhEyL1
InChI InChI=1S/C27H29N5O/c1-26(20-11-5-2-6-12-20)19-27(21-13-7-3-8-14-21,32-24(18-29)23(17-28)31-26)25(33)30-22-15-9-4-10-16-22/h2-3,5-8,11-14,22,31-32H,4,9-10,15-16,19H2,1H3,(H,30,33)
InChIKey CGVAJTWQHPPPQP-UHFFFAOYSA-N
Mol Weight 439.56 g/mol
Molecular Formula C27H29N5O
Exact Mass 439.237211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ClpbDBWmy27
Name N-Cyclohexyl-2,3-dicyano-7-methyl-5,7-diphenyl-4,5,6,7-tetrahydro-1H-1,4-diazepine-5-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29N5O
InChI InChI=1S/C27H29N5O/c1-26(20-11-5-2-6-12-20)19-27(21-13-7-3-8-14-21,32-24(18-29)23(17-28)31-26)25(33)30-22-15-9-4-10-16-22/h2-3,5-8,11-14,22,31-32H,4,9-10,15-16,19H2,1H3,(H,30,33)
InChIKey CGVAJTWQHPPPQP-UHFFFAOYSA-N
Molecular Weight 439.563 g/mol
SMILES N1C(CC(C(=O)NC2CCCCC2)(NC(=C1C#N)C#N)c1ccccc1)(c1ccccc1)C
SPLASH splash10-0apu-9543000000-5032b3c2daae56bdf320
Source of Spectrum F-68-7832-4o
Wiley ID 1717569