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11-(1H-indol-3-yl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID CN3QVhMjShZ
InChI InChI=1S/C28H25N3O/c1-17-10-12-18(13-11-17)19-14-25-27(26(32)15-19)28(31-24-9-5-4-8-23(24)30-25)21-16-29-22-7-3-2-6-20(21)22/h2-13,16,19,28-31H,14-15H2,1H3
InChIKey JCZNAMASPXULEL-UHFFFAOYSA-N
Mol Weight 419.53 g/mol
Molecular Formula C28H25N3O
Exact Mass 419.199762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3HgqpaBvTxU
Name 11-(1H-indol-3-yl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H25N3O
InChI InChI=1S/C28H25N3O/c1-17-10-12-18(13-11-17)19-14-25-27(26(32)15-19)28(31-24-9-5-4-8-23(24)30-25)21-16-29-22-7-3-2-6-20(21)22/h2-13,16,19,28-31H,14-15H2,1H3
InChIKey JCZNAMASPXULEL-UHFFFAOYSA-N
Molecular Weight 419.528 g/mol
SMILES [nH]1c2c(c(C3C4=C(Nc5ccccc5N3)CC(CC4=O)c3ccc(cc3)C)c1)cccc2
SPLASH splash10-014i-5921100000-79e4a24df119e620d248
Synonyms 6-(1H-indol-3-yl)-9-(4-methylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one 6-(1H-indol-3-yl)-9-(p-tolyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Wiley ID 1442272