2-Pyrrol5-[4-(2,3-dimethyl-phenyl)-piperazin-1-yl]-pentylmorpho-isoindole-1,3-dione

SpectraBase Compound ID	D32OsQLudew
InChI	InChI=1S/C25H31N3O2/c1-19-9-8-12-23(20(19)2)27-17-15-26(16-18-27)13-6-3-7-14-28-24(29)21-10-4-5-11-22(21)25(28)30/h4-5,8-12H,3,6-7,13-18H2,1-2H3
InChIKey	KLCUTXYXWGEWHN-UHFFFAOYSA-N Google Search
Mol Weight	405.54 g/mol
Molecular Formula	C25H31N3O2
Exact Mass	405.241627 g/mol

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SpectraBase Spectrum ID	2xzwgP4FPfU
Name	2-Pyrrol5-[4-(2,3-dimethyl-phenyl)-piperazin-1-yl]-pentylmorpho-isoindole-1,3-dione
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	405.241627248 u
Formula	C25H31N3O2
InChI	InChI=1S/C25H31N3O2/c1-19-9-8-12-23(20(19)2)27-17-15-26(16-18-27)13-6-3-7-14-28-24(29)21-10-4-5-11-22(21)25(28)30/h4-5,8-12H,3,6-7,13-18H2,1-2H3
InChIKey	KLCUTXYXWGEWHN-UHFFFAOYSA-N
Molecular Weight	405.542 g/mol
SMILES	C1=CC=C2C(=C1)C(N(C2=O)CCCCCN1CCN(CC1)C1=C(C(=CC=C1)C)C)=O