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7-Nitro-5-phenyl-1-[4-(4-phenyl-piperazin-1-yl)-butyl]-1,3-dihydro-benzo[E][1,4]diazepin- 2-one

View entire compound with spectra: 1 NMR

7-Nitro-5-phenyl-1-[4-(4-phenyl-piperazin-1-yl)-butyl]-1,3-dihydro-benzo[E][1,4]diazepin- 2-one
SpectraBase Compound ID G5jME1ei7cv
InChI InChI=1S/C29H31N5O3/c35-28-22-30-29(23-9-3-1-4-10-23)26-21-25(34(36)37)13-14-27(26)33(28)16-8-7-15-31-17-19-32(20-18-31)24-11-5-2-6-12-24/h1-6,9-14,21H,7-8,15-20,22H2
InChIKey RDHULIIVVQNNTE-UHFFFAOYSA-N
Mol Weight 497.6 g/mol
Molecular Formula C29H31N5O3
Exact Mass 497.24269 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LLkcD4BPvF0
Name 7-Nitro-5-phenyl-1-[4-(4-phenyl-piperazin-1-yl)-butyl]-1,3-dihydro-benzo[E][1,4]diazepin- 2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 497.242689875 u
Formula C29H31N5O3
InChI InChI=1S/C29H31N5O3/c35-28-22-30-29(23-9-3-1-4-10-23)26-21-25(34(36)37)13-14-27(26)33(28)16-8-7-15-31-17-19-32(20-18-31)24-11-5-2-6-12-24/h1-6,9-14,21H,7-8,15-20,22H2
InChIKey RDHULIIVVQNNTE-UHFFFAOYSA-N
Molecular Weight 497.599 g/mol
SMILES C=12C(=NCC(N(C2=CC=C(C1)N(=O)=O)CCCCN1CCN(CC1)C1=CC=CC=C1)=O)C1=CC=CC=C1