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7-Chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-1,3-dihydro-benzo[E][1,4]diazepin-2-one

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7-Chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-1,3-dihydro-benzo[E][1,4]diazepin-2-one
SpectraBase Compound ID CFo53tlvskN
InChI InChI=1S/C24H18ClN3O/c25-17-10-11-21-19(13-17)23(15-6-2-1-3-7-15)27-22(24(29)28-21)12-16-14-26-20-9-5-4-8-18(16)20/h1-11,13-14,22,26H,12H2,(H,28,29)
InChIKey OAAIQFQHSUFGKD-UHFFFAOYSA-N
Mol Weight 399.88 g/mol
Molecular Formula C24H18ClN3O
Exact Mass 399.11384 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8FElCjqg6GW
Name 7-Chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-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 399.113839911 u
Formula C24H18ClN3O
InChI InChI=1S/C24H18ClN3O/c25-17-10-11-21-19(13-17)23(15-6-2-1-3-7-15)27-22(24(29)28-21)12-16-14-26-20-9-5-4-8-18(16)20/h1-11,13-14,22,26H,12H2,(H,28,29)
InChIKey OAAIQFQHSUFGKD-UHFFFAOYSA-N
Molecular Weight 399.881 g/mol
SMILES C1(=NC(C(NC2=C1C=C(C=C2)Cl)=O)CC1=CNC2=C1C=CC=C2)C1=CC=CC=C1