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4,5-Dihydro-1-[3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl]-1Hbenzo[b]azepin-2(3H)-one
SpectraBase Compound ID LQl4Bs0wG2L
InChI InChI=1S/C24H31N3O2/c1-29-23-12-5-4-11-22(23)26-18-16-25(17-19-26)14-7-15-27-21-10-3-2-8-20(21)9-6-13-24(27)28/h2-5,8,10-12H,6-7,9,13-19H2,1H3
InChIKey YNBAKLRBMJXAHT-UHFFFAOYSA-N
Mol Weight 393.53 g/mol
Molecular Formula C24H31N3O2
Exact Mass 393.241627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ojrBoGYYL0
Name 4,5-Dihydro-1-[3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl]-1Hbenzo[b]azepin-2(3H)-one
Alternate Name(s) 1-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H31N3O2
InChI InChI=1S/C24H31N3O2/c1-29-23-12-5-4-11-22(23)26-18-16-25(17-19-26)14-7-15-27-21-10-3-2-8-20(21)9-6-13-24(27)28/h2-5,8,10-12H,6-7,9,13-19H2,1H3
InChIKey YNBAKLRBMJXAHT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.201000101
Molecular Weight 393.531 g/mol
SMILES c12N(C(CCCc2cccc1)=O)CCCN1CCN(CC1)c1c(cccc1)OC
SPLASH splash10-0a4l-0696000000-47562f86a52e566c6546
Source of Spectrum CMC-5-1312-8a
Wiley ID 1771726