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1-(4'-Chlorophenyl)-3a-methyl-5-phenyl-3,3a,4,11-tetrahydro-[1,2,4]-oxadiazolo[4,5-a]-(1,5)-benzodiazepine
SpectraBase Compound ID CzYURfT9uXP
InChI InChI=1S/C23H18ClN3O/c1-23-15-20(16-7-3-2-4-8-16)25-19-9-5-6-10-21(19)27(23)22(26-28-23)17-11-13-18(24)14-12-17/h2-14H,15H2,1H3
InChIKey PGVRMHUCIWCYQK-UHFFFAOYSA-N
Mol Weight 387.87 g/mol
Molecular Formula C23H18ClN3O
Exact Mass 387.11384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ltBbxmn8x5
Name 1-(4'-Chlorophenyl)-3a-methyl-5-phenyl-3,3a,4,11-tetrahydro-[1,2,4]-oxadiazolo[4,5-a]-(1,5)-benzodiazepine
Alternate Name(s) 1-(4-chlorophenyl)-3a-methyl-5-phenyl-3a,4-dihydro[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepine 1-(4-chlorophenyl)-3a-methyl-5-phenyl-4H-[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepine
Comments Less than 3 mono-isotopic peaks
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Formula C23H18ClN3O
InChI InChI=1S/C23H18ClN3O/c1-23-15-20(16-7-3-2-4-8-16)25-19-9-5-6-10-21(19)27(23)22(26-28-23)17-11-13-18(24)14-12-17/h2-14H,15H2,1H3
InChIKey PGVRMHUCIWCYQK-UHFFFAOYSA-N
Molecular Weight 387.870 g/mol
SMILES C12(N(c3c(N=C(C2)c2ccccc2)cccc3)C(=NO1)c1ccc(cc1)Cl)C
SPLASH splash10-0f79-0509000000-02414aa2381cc719868a
Source of Spectrum AN-105-343-5
Wiley ID 747520