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2-Benzyl-3-cyanomethyl-1-(2-methoxy-3-cyanopropyl)-2,3,4,9-tetrahydro-9-methyl-1H-pyrido[3,4-b]indole
SpectraBase Compound ID HWtEwNXATR5
InChI InChI=1S/C26H28N4O/c1-29-24-11-7-6-10-22(24)23-16-20(12-14-27)30(18-19-8-4-3-5-9-19)25(26(23)29)17-21(31-2)13-15-28/h3-11,20-21,25H,12-13,16-18H2,1-2H3/t20-,21?,25+/m1/s1
InChIKey JQEHJYLIVLFCAE-JQACKWFESA-N
Mol Weight 412.54 g/mol
Molecular Formula C26H28N4O
Exact Mass 412.226312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7qDtyZcTdVx
Name 2-Benzyl-3-cyanomethyl-1-(2-methoxy-3-cyanopropyl)-2,3,4,9-tetrahydro-9-methyl-1H-pyrido[3,4-b]indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28N4O
InChI InChI=1S/C26H28N4O/c1-29-24-11-7-6-10-22(24)23-16-20(12-14-27)30(18-19-8-4-3-5-9-19)25(26(23)29)17-21(31-2)13-15-28/h3-11,20-21,25H,12-13,16-18H2,1-2H3/t20-,21?,25+/m1/s1
InChIKey JQEHJYLIVLFCAE-JQACKWFESA-N
Molecular Weight 412.537 g/mol
SMILES c12[n](c3ccccc3c2C[C@](N([C@]1(CC(CC#N)OC)[H])Cc1ccccc1)(CC#N)[H])C
SPLASH splash10-03dl-8519200000-e67f1f7bfb8641e3cae0
Source of Spectrum KC-0-3582-10
Synonyms (1S,3S)-2-Benzyl-3-cyanomethyl-1-(2-methoxy-3-cyanopropyl)-2,3,4,9-tetrahydro-9-methyl-1H-pyrido[3,4-b]indole 4-[2-benzyl-3-(cyanomethyl)-9-methyl-2,3,4,9-tetrahydro-1H-.beta.-carbolin-1-yl]-3-methoxybutanenitrile 4-[(1S,3S)-3-(cyanomethyl)-9-methyl-2-(phenylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-1-yl]-3-methoxybutanenitrile 4-[(1S,3S)-2-benzyl-3-(cyanomethyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-1-yl]-3-methoxybutanenitrile 4-[(1S,3S)-2-benzyl-3-(cyanomethyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-1-yl]-3-methoxy-butanenitrile 4-[(1S,3S)-3-(cyanomethyl)-9-methyl-2-(phenylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-1-yl]-3-methoxy-butanenitrile
Wiley ID 831962