[4]Metacyclo[3](10,6)isoalloxazinophane

SpectraBase Compound ID	6gtCCFnqweQ
InChI	InChI=1S/C23H22N4O2/c28-22-20-21(25-23(29)26-22)27-13-5-9-16-8-3-7-15(14-16)6-1-2-10-17-11-4-12-18(27)19(17)24-20/h3-4,7-8,11-12,14H,1-2,5-6,9-10,13H2,(H,26,28,29)
InChIKey	ONIURSGDSMTIGU-UHFFFAOYSA-N Google Search
Mol Weight	386.46 g/mol
Molecular Formula	C23H22N4O2
Exact Mass	386.174276 g/mol

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SpectraBase Spectrum ID	CUQwyCuF3CV
Name	[4]Metacyclo[3](10,6)isoalloxazinophane
Alternate Name(s)	1(2),1(3),1(4),1(10)-tetrahydro-1(10,6)-benzo[g]pteridina-5(1,3)-benzenacyclononaphane-1(2),1(4)-dione
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H22N4O2
InChI	InChI=1S/C23H22N4O2/c28-22-20-21(25-23(29)26-22)27-13-5-9-16-8-3-7-15(14-16)6-1-2-10-17-11-4-12-18(27)19(17)24-20/h3-4,7-8,11-12,14H,1-2,5-6,9-10,13H2,(H,26,28,29)
InChIKey	ONIURSGDSMTIGU-UHFFFAOYSA-N
Molecular Weight	386.455 g/mol
SMILES	N1C(N=C2C(C1=O)=Nc1c3N2CCCc2cccc(CCCCc1ccc3)c2)=O
SPLASH	splash10-000i-0059000000-4da5f81cb0e7f0706c1b
Source of Spectrum	K-127-1676-3
Wiley ID	1792406