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5,11-Dihydro-11-[[4-(2-aminoethyl)-1-piperazinyl]acetyl]-6H-pyrido[2,3-B][1,4]benzodiazepin-6-one
SpectraBase Compound ID 4E3ANOZYc1p
InChI InChI=1S/C20H24N6O2/c21-7-9-24-10-12-25(13-11-24)14-18(27)26-17-6-2-1-4-15(17)20(28)23-16-5-3-8-22-19(16)26/h1-6,8H,7,9-14,21H2,(H,23,28)
InChIKey BGBFZLZJWJZOCZ-UHFFFAOYSA-N
Mol Weight 380.45 g/mol
Molecular Formula C20H24N6O2
Exact Mass 380.196074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID STiYo9mXZR
Name 5,11-Dihydro-11-[[4-(2-aminoethyl)-1-piperazinyl]acetyl]-6H-pyrido[2,3-B][1,4]benzodiazepin-6-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.196074035 u
Formula C20H24N6O2
InChI InChI=1S/C20H24N6O2/c21-7-9-24-10-12-25(13-11-24)14-18(27)26-17-6-2-1-4-15(17)20(28)23-16-5-3-8-22-19(16)26/h1-6,8H,7,9-14,21H2,(H,23,28)
InChIKey BGBFZLZJWJZOCZ-UHFFFAOYSA-N
Molecular Weight 380.452 g/mol
SMILES C12=C(C=CC=N2)NC(C=2C(N1C(CN1CCN(CCN)CC1)=O)=CC=CC2)=O