2-amino-4-[1-(2,4-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile

SpectraBase Compound ID	AZQIdaIxINd
InChI	InChI=1S/C28H25Cl2N5/c29-20-13-12-19(24(30)14-20)16-35-17-23(27(34-35)18-8-4-3-5-9-18)26-21-10-6-1-2-7-11-25(21)33-28(32)22(26)15-31/h3-5,8-9,12-14,17H,1-2,6-7,10-11,16H2,(H2,32,33)
InChIKey	SILNUZXUQBRURB-UHFFFAOYSA-N Google Search
Mol Weight	502.45 g/mol
Molecular Formula	C28H25Cl2N5
Exact Mass	501.148701 g/mol

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SpectraBase Spectrum ID	4aeoPwgZ3gN
Name	2-amino-4-[1-(2,4-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C28H25Cl2N5/c29-20-13-12-19(24(30)14-20)16-35-17-23(27(34-35)18-8-4-3-5-9-18)26-21-10-6-1-2-7-11-25(21)33-28(32)22(26)15-31/h3-5,8-9,12-14,17H,1-2,6-7,10-11,16H2,(H2,32,33)
InChIKey	SILNUZXUQBRURB-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_12564
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	CDCl3
Source File Reference	VendorID: UZI/9123138; UBI_ID: UBI-012567
Temperature	318 °C