SSR146977

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Systematic / IUPAC Name: 3-(1-{3-[(3S)-1-Benzoyl-3-(3,4-dichlorophenyl)-3-piperidinyl]propyl}-4-phenyl-4-piperidinyl)-1,1-dimethylurea

ID: Reference2925

Other Names: Urea, N'-(1-{3-[(3S)-1-benzoyl-3-(3,4-dichlorophenyl)-3-piperidinyl]propyl}-4-phenyl-4-piperidinyl)-N,N-dimethyl-

Formula: C35H42Cl2N4O2

Spectral Data

SSR146977 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/29/2015 12:40:01 PM
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Identificators

InChI InChI=1S/C35H42Cl2N4O2/c1-39(2)33(43)38-35(28-13-7-4-8-14-28)19-23-40(24-20-35)21-9-17-34(29-15-16-30(36)31(37)25-29)18-10-22-41(26-34)32(42)27-11-5-3-6-12-27/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3,(H,38,43)/t34-/m1/s1
InChI Key XWPBINGFFFZAOZ-UUWRZZSWSA-N
Canonical SMILES CN(C)C(=O)NC1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5
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Other Names Urea, N'-(1-{3-[(3S)-1-benzoyl-3-(3,4-dichlorophenyl)-3-piperidinyl]propyl}-4-phenyl-4-piperidinyl)-N,N-dimethyl-

In Other Databases

PubChem 53316379
ChemSpider 29786991
ChEMBL CHEMBL3185329