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(6aS)-3-(3-isoindolin-2-yl-3-keto-propoxy)-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
SpectraBase Compound ID 81JyEU0ble6
InChI InChI=1S/C24H25N3O4/c1-30-21-11-19-20(25-13-18-7-4-9-27(18)24(19)29)12-22(21)31-10-8-23(28)26-14-16-5-2-3-6-17(16)15-26/h2-3,5-6,11-13,18H,4,7-10,14-15H2,1H3/t18-/m0/s1
InChIKey IULUFADXXMJMMQ-SFHVURJKSA-N
Mol Weight 419.48 g/mol
Molecular Formula C24H25N3O4
Exact Mass 419.184506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K6RrmbNfwZH
Name (6aS)-3-(3-isoindolin-2-yl-3-keto-propoxy)-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
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Formula C24H25N3O4
InChI InChI=1S/C24H25N3O4/c1-30-21-11-19-20(25-13-18-7-4-9-27(18)24(19)29)12-22(21)31-10-8-23(28)26-14-16-5-2-3-6-17(16)15-26/h2-3,5-6,11-13,18H,4,7-10,14-15H2,1H3/t18-/m0/s1
InChIKey IULUFADXXMJMMQ-SFHVURJKSA-N
Molecular Weight 419.481 g/mol
SMILES C1(c2c(N=C[C@]3(N1CCC3)[H])cc(c(c2)OC)OCCC(N1Cc2ccccc2C1)=O)=O
SPLASH splash10-014j-0140900000-91b8246c52911da1f972
Source of Spectrum C2-14-904-15
Synonyms (6aS)-3-(3-isoindolin-2-yl-3-oxo-propoxy)-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one (6aS)-3-[3-(1,3-dihydroisoindol-2-yl)-3-oxidanylidene-propoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one (6aS)-3-[3-(1,3-dihydroisoindol-2-yl)-3-oxopropoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Wiley ID 1517129