For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-Phenyl-3-methyl-5-(ethoxycarbonyl)-7-[[4-(ethoxycarbonyl)phenyl]amino]pyrazolo[3,4-d][1,3]diazepine
SpectraBase Compound ID J2u6EtTwYNy
InChI InChI=1S/C25H25N5O4/c1-4-33-23(31)17-11-13-18(14-12-17)26-25-27-21(24(32)34-5-2)15-20-16(3)29-30(22(20)28-25)19-9-7-6-8-10-19/h6-15H,4-5H2,1-3H3,(H2,26,27,28)
InChIKey IQPFXAAQCSJFMT-UHFFFAOYSA-N
Mol Weight 459.51 g/mol
Molecular Formula C25H25N5O4
Exact Mass 459.190654 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IBrzSBsgctw
Name 1-Phenyl-3-methyl-5-(ethoxycarbonyl)-7-[[4-(ethoxycarbonyl)phenyl]amino]pyrazolo[3,4-d][1,3]diazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H25N5O4
InChI InChI=1S/C25H25N5O4/c1-4-33-23(31)17-11-13-18(14-12-17)26-25-27-21(24(32)34-5-2)15-20-16(3)29-30(22(20)28-25)19-9-7-6-8-10-19/h6-15H,4-5H2,1-3H3,(H2,26,27,28)
InChIKey IQPFXAAQCSJFMT-UHFFFAOYSA-N
Molecular Weight 459.506 g/mol
SMILES N1C(=Cc2c(N=C1Nc1ccc(C(=O)OCC)cc1)[n](nc2C)-c1ccccc1)C(=O)OCC
SPLASH splash10-06vi-9007700000-77e4f11b5555f4567081
Source of Spectrum J-58-5268-3
Synonyms Ethyl 7-[4-(ethoxycarbonyl)anilino]-3-methyl-1-phenyl-1,6-dihydropyrazolo[3,4-d][1,3]diazepine-5-carboxylate
Wiley ID 1390219