For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]acetyl}-8-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

View entire compound with spectra: 2 NMR

2-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]acetyl}-8-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SpectraBase Compound ID ICqTUPSEed7
InChI InChI=1S/C26H30N4O3/c1-18-2-4-22-20(12-18)21-15-30(7-6-23(21)27-22)26(31)16-29-10-8-28(9-11-29)14-19-3-5-24-25(13-19)33-17-32-24/h2-5,12-13,27H,6-11,14-17H2,1H3
InChIKey CXBSZNOKLYYNQU-UHFFFAOYSA-N
Mol Weight 446.55 g/mol
Molecular Formula C26H30N4O3
Exact Mass 446.231791 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KC0J4wvVLqd
Name 2-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]acetyl}-8-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-B]indole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.231790839 u
Formula C26H30N4O3
InChI InChI=1S/C26H30N4O3/c1-18-2-4-22-20(12-18)21-15-30(7-6-23(21)27-22)26(31)16-29-10-8-28(9-11-29)14-19-3-5-24-25(13-19)33-17-32-24/h2-5,12-13,27H,6-11,14-17H2,1H3
InChIKey CXBSZNOKLYYNQU-UHFFFAOYSA-N
Molecular Weight 446.551 g/mol
SMILES N1C=2C(C3=C1CCN(C3)C(CN1CCN(CC1)CC1=CC=3OCOC3C=C1)=O)=CC(=CC2)C