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(3R)-N-Cyclohexyl-4-(1-(S)-methylbenzyl)-2-(4-methylphenyl)-5-oxo-4,5-dihydro-3H-benzo[e][1,4]diazepine-3-carboxamide
SpectraBase Compound ID DFTDHryJxi2
InChI InChI=1S/C31H33N3O2/c1-21-17-19-24(20-18-21)28-29(30(35)32-25-13-7-4-8-14-25)34(22(2)23-11-5-3-6-12-23)31(36)26-15-9-10-16-27(26)33-28/h3,5-6,9-12,15-20,22,25,29H,4,7-8,13-14H2,1-2H3,(H,32,35)/t22-,29+/m0/s1
InChIKey SNOZNMOURNXKAE-PZGXJGMVSA-N
Mol Weight 479.6 g/mol
Molecular Formula C31H33N3O2
Exact Mass 479.257277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Z1GJZoVD2N
Name (3R)-N-Cyclohexyl-4-(1-(S)-methylbenzyl)-2-(4-methylphenyl)-5-oxo-4,5-dihydro-3H-benzo[e][1,4]diazepine-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H33N3O2
InChI InChI=1S/C31H33N3O2/c1-21-17-19-24(20-18-21)28-29(30(35)32-25-13-7-4-8-14-25)34(22(2)23-11-5-3-6-12-23)31(36)26-15-9-10-16-27(26)33-28/h3,5-6,9-12,15-20,22,25,29H,4,7-8,13-14H2,1-2H3,(H,32,35)/t22-,29+/m0/s1
InChIKey SNOZNMOURNXKAE-PZGXJGMVSA-N
Literature Reference DOI 10.1021/ol503628r
Molecular Weight 479.624 g/mol
SMILES N(C1CCCCC1)C([C@@]1(N(C(=O)c2c(cccc2)N=C1c1ccc(cc1)C)[C@](c1ccccc1)(C)[H])[H])=O
SPLASH splash10-0k92-0692100000-bade2b7523064417c398
Source of Spectrum A1-17-612/SMS11-u_7g
Synonyms (R)-N-cyclohexyl-5-oxo-4-((S)-1-phenylethyl)-2-(p-tolyl)-4,5-dihydro-3H-benzo[e][1,4]diazepine-3-carboxamide
Wiley ID 1756279