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1-Phenyl-3-methyl-5-(ethoxycarbonyl)-7-[(4-cyanophenyl)imino]-8-(4-cyanophenyl)-1,3-diazeto[1',2'-a]pyrazolo[3,4-d][1,3]diazepine

View entire compound with spectra: 1 MS (GC)

1-Phenyl-3-methyl-5-(ethoxycarbonyl)-7-[(4-cyanophenyl)imino]-8-(4-cyanophenyl)-1,3-diazeto[1',2'-a]pyrazolo[3,4-d][1,3]diazepine
SpectraBase Compound ID 8nrjwBSUNVh
InChI InChI=1S/C31H22N8O2/c1-3-41-29(40)27-17-26-20(2)36-39(25-7-5-4-6-8-25)28(26)35-31-37(24-15-11-22(19-33)12-16-24)30(38(27)31)34-23-13-9-21(18-32)10-14-23/h4-17H,3H2,1-2H3/b34-30+
InChIKey DSAIVOJRMQIEEH-VBMGMRCRSA-N
Mol Weight 538.57 g/mol
Molecular Formula C31H22N8O2
Exact Mass 538.186572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vJT0QZg4O
Name 1-Phenyl-3-methyl-5-(ethoxycarbonyl)-7-[(4-cyanophenyl)imino]-8-(4-cyanophenyl)-1,3-diazeto[1',2'-a]pyrazolo[3,4-d][1,3]diazepine
Alternate Name(s) Ethyl (7E)-8-(4-cyanophenyl)-7-[(4-cyanophenyl)imino]-3-methyl-1-phenyl-7,8-dihydro-1H-[1,3]diazeto[1,2-a]pyrazolo[3,4-d][1,3]diazepine-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H22N8O2
InChI InChI=1S/C31H22N8O2/c1-3-41-29(40)27-17-26-20(2)36-39(25-7-5-4-6-8-25)28(26)35-31-37(24-15-11-22(19-33)12-16-24)30(38(27)31)34-23-13-9-21(18-32)10-14-23/h4-17H,3H2,1-2H3/b34-30+
InChIKey DSAIVOJRMQIEEH-VBMGMRCRSA-N
Molecular Weight 538.571 g/mol
SMILES C1=2N(C(=Cc3c(n[n](c3N2)-c2ccccc2)C)C(=O)OCC)\C(N1c1ccc(C#N)cc1)=N\c1ccc(C#N)cc1
SPLASH splash10-0udl-0890000000-798da7838e8d9597061d
Source of Spectrum J-58-5269-4
Wiley ID 1404351