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2-((S)-3-Benzyl-2-oxo-5-phenyl-2,3-dihydro-benzo[e][1,4]diazepin-1-yl)-2-(4-chloro-phenyl)-N-cyclohexyl-acetamide
SpectraBase Compound ID 3wWhQundBbz
InChI InChI=1S/C36H34ClN3O2/c37-28-22-20-27(21-23-28)34(35(41)38-29-16-8-3-9-17-29)40-32-19-11-10-18-30(32)33(26-14-6-2-7-15-26)39-31(36(40)42)24-25-12-4-1-5-13-25/h1-2,4-7,10-15,18-23,29,31,34H,3,8-9,16-17,24H2,(H,38,41)/t31-,34?/m0/s1
InChIKey WBADVVXCXNPBEJ-PTYUOYDSSA-N
Mol Weight 576.1 g/mol
Molecular Formula C36H34ClN3O2
Exact Mass 575.233955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DL079y0A6uP
Name 2-((S)-3-Benzyl-2-oxo-5-phenyl-2,3-dihydro-benzo[e][1,4]diazepin-1-yl)-2-(4-chloro-phenyl)-N-cyclohexyl-acetamide
Alternate Name(s) N-Cyclohexyl[2-((S)-3-benzyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepein-1-yl)-(R/S)-2-(4-Chlolophenyl)]acetamide
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Formula C36H34ClN3O2
InChI InChI=1S/C36H34ClN3O2/c37-28-22-20-27(21-23-28)34(35(41)38-29-16-8-3-9-17-29)40-32-19-11-10-18-30(32)33(26-14-6-2-7-15-26)39-31(36(40)42)24-25-12-4-1-5-13-25/h1-2,4-7,10-15,18-23,29,31,34H,3,8-9,16-17,24H2,(H,38,41)/t31-,34?/m0/s1
InChIKey WBADVVXCXNPBEJ-PTYUOYDSSA-N
Molecular Weight 576.140 g/mol
SMILES N(C(C(N1C([C@@](N=C(c2c1cccc2)c1ccccc1)(Cc1ccccc1)[H])=O)c1ccc(cc1)Cl)=O)C1CCCCC1
SPLASH splash10-0zfr-1129600000-c48bebeddd2805f434ba
Source of Spectrum F-66-6786-11b
Wiley ID 1684234