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Methyl N-[11-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
SpectraBase Compound ID g12Y5BKMB2
InChI InChI=1S/C26H32N4O3/c1-33-26(32)27-21-11-10-20-9-8-19-5-2-3-7-23(19)30(24(20)17-21)25(31)12-14-28-15-16-29-13-4-6-22(29)18-28/h2-3,5,7,10-11,17,22H,4,6,8-9,12-16,18H2,1H3,(H,27,32)
InChIKey PAUBRSDGFKFUPI-UHFFFAOYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C26H32N4O3
Exact Mass 448.247441 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3WKMpU9DKy
Name Methyl N-[11-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
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Formula C26H32N4O3
InChI InChI=1S/C26H32N4O3/c1-33-26(32)27-21-11-10-20-9-8-19-5-2-3-7-23(19)30(24(20)17-21)25(31)12-14-28-15-16-29-13-4-6-22(29)18-28/h2-3,5,7,10-11,17,22H,4,6,8-9,12-16,18H2,1H3,(H,27,32)
InChIKey PAUBRSDGFKFUPI-UHFFFAOYSA-N
Molecular Weight 448.567 g/mol
SMILES N(C(=O)OC)c1cc2N(C(CCN3CC4CCCN4CC3)=O)c3c(CCc2cc1)cccc3
SPLASH splash10-000b-9421000000-054e360fd34c0a515cc4
Synonyms N-[11-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-oxopropyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamic acid methyl ester N-[11-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamic acid methyl ester
Wiley ID 1444319