N-[(1S,3aS,5S,7aR)-5-Hydroxy-7a-{3-[4-(2-methoxyphenyl)-1-piperazinyl]-3-oxopropyl}-3,3,5-trimethyloctahydro-1H-inden-1-yl]nicotinamide

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Systematic / IUPAC Name: N-[(1S,3aS,5S,7aR)-5-Hydroxy-7a-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-3,3,5-trimethyl-1,2,3a,4,6,7-hexahydroinden-1-yl]pyridine-3-carboxamide

ID: Reference9513

Other Names: 3-Pyridinecarboxamide, N-[(1S,3aS,5S,7aR)-octahydro-5-hydroxy-7a-[3-[4-(2-methoxyphenyl)-1-piperazinyl]-3-oxopropyl]-3,3,5-trimethyl-1H-inden-1-yl]-;
NAT24-392279

Formula: C32H44N4O4

Spectral Data

N-[(1S,3aS,5S,7aR)-5-Hydroxy-7a-{3-[4-(2-methoxyphenyl)-1-piperazinyl]-3-oxopropyl}-3,3,5-trimethyloctahydro-1H-inden-1-yl]nicotinamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1585
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 3/21/2020 3:52:25 PM
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Identificators

InChI InChI=1S/C32H44N4O4/c1-30(2)21-27(34-29(38)23-8-7-15-33-22-23)32(14-13-31(3,39)20-26(30)32)12-11-28(37)36-18-16-35(17-19-36)24-9-5-6-10-25(24)40-4/h5-10,15,22,26-27,39H,11-14,16-21H2,1-4H3,(H,34,38)/t26-,27-,31-,32-/m0/s1
InChI Key KOVHVTHCPXQWST-BAVAKQCBSA-N
Canonical SMILES CC1(CC(C2(C1CC(CC2)(C)O)CCC(=O)N3CCN(CC3)C4=CC=CC=C4OC)NC(=O)C5=CN=CC=C5)C
CAS
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Other Names 3-Pyridinecarboxamide, N-[(1S,3aS,5S,7aR)-octahydro-5-hydroxy-7a-[3-[4-(2-methoxyphenyl)-1-piperazinyl]-3-oxopropyl]-3,3,5-trimethyl-1H-inden-1-yl]-;
NAT24-392279

In Other Databases

ChemSpider 21383460
PubChem 45361246