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5-(azepane-1-sulfonyl)-1,9-diazatricyclo[8.4.0.0(2,7)]tetradeca-2(7),3,5,9,11,13-hexaen-8-one
SpectraBase Compound ID 8bBay8OoOxa
InChI InChI=1S/C18H19N3O3S/c22-18-15-13-14(25(23,24)20-10-4-1-2-5-11-20)8-9-16(15)21-12-6-3-7-17(21)19-18/h3,6-9,12-13H,1-2,4-5,10-11H2
InChIKey NLQSFCKPSBBTQE-UHFFFAOYSA-N
Mol Weight 357.43 g/mol
Molecular Formula C18H19N3O3S
Exact Mass 357.114713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9hAtW2LPo0a
Name 5-(azepane-1-sulfonyl)-1,9-diazatricyclo[8.4.0.0(2,7)]tetradeca-2(7),3,5,9,11,13-hexaen-8-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19N3O3S
InChI InChI=1S/C18H19N3O3S/c22-18-15-13-14(25(23,24)20-10-4-1-2-5-11-20)8-9-16(15)21-12-6-3-7-17(21)19-18/h3,6-9,12-13H,1-2,4-5,10-11H2
InChIKey NLQSFCKPSBBTQE-UHFFFAOYSA-N
Molecular Weight 357.428 g/mol
SMILES C1CCN(S(c2cc3C(N=C4N(c3cc2)C=CC=C4)=O)(=O)=O)CCC1
SPLASH splash10-0005-9411000000-37ce08b312c93cc1607c
Source of Spectrum IY-2-5189-6
Synonyms 6H-Pyrido[1,2-a]quinazolin-6-one, 8-[(hexahydro-1H-azepin-1-yl)sulfonyl]- 8-(1-azepanylsulfonyl)-6-pyrido[1,2-a]quinazolinone
Wiley ID 1659879