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4-Isopropyl-7-methyl-3a,4,7,7a-tetrahydro-2-{4'-[4"-(2"'-quinolinyl)-1"-piperazinyl]butyl}-4,7-ethane-1H-isoindole-1,3(2H)-dione

View entire compound with spectra: 1 MS (GC)

4-Isopropyl-7-methyl-3a,4,7,7a-tetrahydro-2-{4'-[4"-(2"'-quinolinyl)-1"-piperazinyl]butyl}-4,7-ethane-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID 65LkCgNJrHv
InChI InChI=1S/C31H40N4O2/c1-22(2)31-14-12-30(3,13-15-31)26-27(31)29(37)35(28(26)36)17-7-6-16-33-18-20-34(21-19-33)25-11-10-23-8-4-5-9-24(23)32-25/h4-5,8-12,14,22,26-27H,6-7,13,15-21H2,1-3H3/t26-,27+,30-,31+/m1/s1
InChIKey FNBILNRBXHZAPL-FSRIWSFDSA-N
Mol Weight 500.7 g/mol
Molecular Formula C31H40N4O2
Exact Mass 500.315127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HAZDqAOru7q
Name 4-Isopropyl-7-methyl-3a,4,7,7a-tetrahydro-2-{4'-[4"-(2"'-quinolinyl)-1"-piperazinyl]butyl}-4,7-ethane-1H-isoindole-1,3(2H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H40N4O2
InChI InChI=1S/C31H40N4O2/c1-22(2)31-14-12-30(3,13-15-31)26-27(31)29(37)35(28(26)36)17-7-6-16-33-18-20-34(21-19-33)25-11-10-23-8-4-5-9-24(23)32-25/h4-5,8-12,14,22,26-27H,6-7,13,15-21H2,1-3H3/t26-,27+,30-,31+/m1/s1
InChIKey FNBILNRBXHZAPL-FSRIWSFDSA-N
Molecular Weight 500.687 g/mol
SMILES C1(N(C([C@@]2([C@@]3(C=C[C@]([C@]12[H])(CC3)C(C)C)C)[H])=O)CCCCN1CCN(c2nc3ccccc3cc2)CC1)=O
SPLASH splash10-0a4i-0900000000-09371b1dd72ea9cead51
Source of Spectrum D8-330-158-15
Wiley ID 1516397