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4-[5'-(1'',3''-Benzodioxol-5''-yl)methyl]-4'-ethyl-2',2',3'-trimethyl-6'-oxo-perhydropyrrolo[3,4-c]pyrrol-1'-yl}benzamidine

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4-[5'-(1'',3''-Benzodioxol-5''-yl)methyl]-4'-ethyl-2',2',3'-trimethyl-6'-oxo-perhydropyrrolo[3,4-c]pyrrol-1'-yl}benzamidine
SpectraBase Compound ID Bw2KrdNRNYT
InChI InChI=1S/C26H32N4O3/c1-5-18-22-21(25(31)30(18)13-15-6-11-19-20(12-15)33-14-32-19)23(29(4)26(22,2)3)16-7-9-17(10-8-16)24(27)28/h6-12,18,21-23H,5,13-14H2,1-4H3,(H3,27,28)/t18?,21?,22?,23-/m0/s1
InChIKey HQVPEQYGMUJQHM-FTVZZTLYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C26H32N4O3
Exact Mass 448.247441 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EevzJdL3R2H
Name 4-[5'-(1'',3''-Benzodioxol-5''-yl)methyl]-4'-ethyl-2',2',3'-trimethyl-6'-oxo-perhydropyrrolo[3,4-c]pyrrol-1'-yl}benzamidine
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Formula C26H32N4O3
InChI InChI=1S/C26H32N4O3/c1-5-18-22-21(25(31)30(18)13-15-6-11-19-20(12-15)33-14-32-19)23(29(4)26(22,2)3)16-7-9-17(10-8-16)24(27)28/h6-12,18,21-23H,5,13-14H2,1-4H3,(H3,27,28)/t18?,21?,22?,23-/m0/s1
InChIKey HQVPEQYGMUJQHM-FTVZZTLYSA-N
Molecular Weight 448.567 g/mol
SMILES N=C(c1ccc([C@@]2(N(C)C(C3C2C(N(Cc2cc4OCOc4cc2)C3CC)=O)(C)C)[H])cc1)N
SPLASH splash10-001i-0110900000-a81095e2765586ec6416
Source of Spectrum H-83-899-51
Wiley ID 847039