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1-[2'-(N,N-Dimethylamino)ethyl]-4-hydroxy-4-(1"-benzylpiperidin-4"-yl)-1H-pyrrolo[3,2-g]isoquinolin-9(4H)-one
SpectraBase Compound ID CvidrQS7k4M
InChI InChI=1S/C27H32N4O2/c1-29(2)16-17-31-15-11-24-25(31)26(32)22-18-28-12-8-23(22)27(24,33)21-9-13-30(14-10-21)19-20-6-4-3-5-7-20/h3-8,11-12,15,18,21,33H,9-10,13-14,16-17,19H2,1-2H3
InChIKey IDIAYOKPAHQXGP-UHFFFAOYSA-N
Mol Weight 444.6 g/mol
Molecular Formula C27H32N4O2
Exact Mass 444.252526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66dVZjuHpk3
Name 1-[2'-(N,N-Dimethylamino)ethyl]-4-hydroxy-4-(1"-benzylpiperidin-4"-yl)-1H-pyrrolo[3,2-g]isoquinolin-9(4H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32N4O2
InChI InChI=1S/C27H32N4O2/c1-29(2)16-17-31-15-11-24-25(31)26(32)22-18-28-12-8-23(22)27(24,33)21-9-13-30(14-10-21)19-20-6-4-3-5-7-20/h3-8,11-12,15,18,21,33H,9-10,13-14,16-17,19H2,1-2H3
InChIKey IDIAYOKPAHQXGP-UHFFFAOYSA-N
Molecular Weight 444.579 g/mol
SMILES OC1(c2c(C(=O)c3c1ccnc3)[n](CCN(C)C)cc2)C1CCN(CC1)Cc1ccccc1
SPLASH splash10-0a4i-9000000000-a1ab79f5aaef6ae47738
Source of Spectrum AH-140-312-4b
Synonyms 1-[2-(dimethylamino)ethyl]-4-hydroxy-4-[1-(phenylmethyl)-4-piperidinyl]-9-pyrrolo[3,2-g]isoquinolinone 4-(1-benzylpiperidin-4-yl)-1-[2-(dimethylamino)ethyl]-4-hydroxypyrrolo[3,2-g]isoquinolin-9-one 4-(1-benzyl-4-piperidyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-pyrrolo[3,2-g]isoquinolin-9-one 1-[2-(dimethylamino)ethyl]-4-oxidanyl-4-[1-(phenylmethyl)piperidin-4-yl]pyrrolo[3,2-g]isoquinolin-9-one
Wiley ID 1696099