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1-[2-(4-benzyl-1-piperidyl)-5-nitro-phenyl]-3,4-dihydroisoquinoline
SpectraBase Compound ID 76McEmFXz63
InChI InChI=1S/C27H27N3O2/c31-30(32)23-10-11-26(25(19-23)27-24-9-5-4-8-22(24)12-15-28-27)29-16-13-21(14-17-29)18-20-6-2-1-3-7-20/h1-11,19,21H,12-18H2
InChIKey CCYNXULFQVKPQT-UHFFFAOYSA-N
Mol Weight 425.53 g/mol
Molecular Formula C27H27N3O2
Exact Mass 425.210327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5nXbZPObJfr
Name 1-[2-(4-benzyl-1-piperidyl)-5-nitro-phenyl]-3,4-dihydroisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27N3O2
InChI InChI=1S/C27H27N3O2/c31-30(32)23-10-11-26(25(19-23)27-24-9-5-4-8-22(24)12-15-28-27)29-16-13-21(14-17-29)18-20-6-2-1-3-7-20/h1-11,19,21H,12-18H2
InChIKey CCYNXULFQVKPQT-UHFFFAOYSA-N
Molecular Weight 425.532 g/mol
SMILES c1(C=2c3c(cccc3)CCN2)c(N2CCC(Cc3ccccc3)CC2)ccc(N(=O)=O)c1
SPLASH splash10-059x-4694100000-8c1e225c29b47872db4e
Synonyms 1-[2-(4-benzylpiperidin-1-yl)-5-nitrophenyl]-3,4-dihydroisoquinoline 1-[2-(4-benzylpiperidino)-5-nitro-phenyl]-3,4-dihydroisoquinoline 1-[5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]phenyl]-3,4-dihydroisoquinoline 1-[5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]phenyl]-3,4-dihydroisoquinoline
Wiley ID 1442753