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5,11-Dihydro-11-[4-[2-(N-[3-amino-1-oxopropyl]amino)ethyl]-1pioerazinoacetylpyridino[2,3-B]-1-benzazepine-6-one
SpectraBase Compound ID E6v8s9PBsfc
InChI InChI=1S/C23H29N7O3/c24-8-7-20(31)25-10-11-28-12-14-29(15-13-28)16-21(32)30-19-6-2-1-4-17(19)23(33)27-18-5-3-9-26-22(18)30/h1-6,9H,7-8,10-16,24H2,(H,25,31)(H,27,33)
InChIKey URPRZVNWSJHUNH-UHFFFAOYSA-N
Mol Weight 451.53 g/mol
Molecular Formula C23H29N7O3
Exact Mass 451.233188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID NfTczltOGh
Name 5,11-Dihydro-11-[4-[2-(N-[3-amino-1-oxopropyl]amino)ethyl]-1pioerazinoacetylpyridino[2,3-B]-1-benzazepine-6-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.233187819 u
Formula C23H29N7O3
InChI InChI=1S/C23H29N7O3/c24-8-7-20(31)25-10-11-28-12-14-29(15-13-28)16-21(32)30-19-6-2-1-4-17(19)23(33)27-18-5-3-9-26-22(18)30/h1-6,9H,7-8,10-16,24H2,(H,25,31)(H,27,33)
InChIKey URPRZVNWSJHUNH-UHFFFAOYSA-N
Molecular Weight 451.531 g/mol
SMILES C12=C(N(C3=C(NC2=O)C=CC=N3)C(CN2CCN(CC2)CCNC(=O)CCN)=O)C=CC=C1