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5a,9-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
SpectraBase Compound ID GrFw0Nr0v9L
InChI InChI=1S/C24H29N3O3/c1-16-19(28)7-9-24(2)8-6-17-18(23(29)30-22(17)21(16)24)15-26-11-13-27(14-12-26)20-5-3-4-10-25-20/h3-5,7,9-10,17-18,22H,6,8,11-15H2,1-2H3
InChIKey FOPMFUFUXZANPV-UHFFFAOYSA-N
Mol Weight 407.51 g/mol
Molecular Formula C24H29N3O3
Exact Mass 407.220892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10VBaVrqVbL
Name 5a,9-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H29N3O3
InChI InChI=1S/C24H29N3O3/c1-16-19(28)7-9-24(2)8-6-17-18(23(29)30-22(17)21(16)24)15-26-11-13-27(14-12-26)20-5-3-4-10-25-20/h3-5,7,9-10,17-18,22H,6,8,11-15H2,1-2H3
InChIKey FOPMFUFUXZANPV-UHFFFAOYSA-N
Molecular Weight 407.514 g/mol
SMILES C1=2C(C=CC(C2C)=O)(CCC2C1OC(C2CN1CCN(CC1)c1ncccc1)=O)C
SPLASH splash10-0a4i-7900000000-994cef9d009faad451e8
Synonyms 5a,9-dimethyl-3-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione 5a,9-dimethyl-3-[[4-(2-pyridyl)piperazin-1-yl]methyl]-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione 5a,9-dimethyl-3-[[4-(2-pyridyl)piperazino]methyl]-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-quinone
Wiley ID 1446766