| SpectraBase Spectrum ID |
7mfB1j9IlMA |
| Name |
5,11-Dihydro-11-[4-[2-(N-[4-amino-1-oxobutyl]amino)ethyl]piperazinoacetyl-1-pyrido[1,2-B]benz[1,4]diazepin-6-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
465.248837883 u |
| Formula |
C24H31N7O3 |
| InChI |
InChI=1S/C24H31N7O3/c25-9-3-8-21(32)26-11-12-29-13-15-30(16-14-29)17-22(33)31-20-7-2-1-5-18(20)24(34)28-19-6-4-10-27-23(19)31/h1-2,4-7,10H,3,8-9,11-17,25H2,(H,26,32)(H,28,34) |
| InChIKey |
AINOAUBSOCDMCN-UHFFFAOYSA-N |
| Molecular Weight |
465.558 g/mol |
| SMILES |
C12=C(N(C3=C(NC2=O)C=CC=N3)C(CN2CCN(CC2)CCNC(=O)CCCN)=O)C=CC=C1 |
![5,11-Dihydro-11-[4-[2-(N-[4-amino-1-oxobutyl]amino)ethyl]piperazinoacetyl-1-pyrido[1,2-B]benz[1,4]diazepin-6-one](/api/spectrum/7mfB1j9IlMA/structure.png?h=300&w=458 "5,11-Dihydro-11-[4-[2-(N-[4-amino-1-oxobutyl]amino)ethyl]piperazinoacetyl-1-pyrido[1,2-B]benz[1,4]diazepin-6-one")
