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2,3,6,7-Tetrahydro-8-methoxy-7-methyl-3-(3'-oxo-1',3'-diphenylpropyl)-2,4-diphenyl-1H-pyrimido[4,5-b][1,4]diazepin-6-one

View entire compound with spectra: 1 MS (GC)

2,3,6,7-Tetrahydro-8-methoxy-7-methyl-3-(3'-oxo-1',3'-diphenylpropyl)-2,4-diphenyl-1H-pyrimido[4,5-b][1,4]diazepin-6-one
SpectraBase Compound ID 6BytjLgXWXy
InChI InChI=1S/C36H32N4O3/c1-24-37-35-34(36(42)40(24)43-2)38-32(27-19-11-5-12-20-27)31(33(39-35)28-21-13-6-14-22-28)29(25-15-7-3-8-16-25)23-30(41)26-17-9-4-10-18-26/h3-22,29,31,33,39H,23H2,1-2H3/t29-,31-,33+/m0/s1
InChIKey WLOLWSLGSZMOJV-FXFVSWTPSA-N
Mol Weight 568.7 g/mol
Molecular Formula C36H32N4O3
Exact Mass 568.247441 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lp8brq5MoqS
Name 2,3,6,7-Tetrahydro-8-methoxy-7-methyl-3-(3'-oxo-1',3'-diphenylpropyl)-2,4-diphenyl-1H-pyrimido[4,5-b][1,4]diazepin-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H32N4O3
InChI InChI=1S/C36H32N4O3/c1-24-37-35-34(36(42)40(24)43-2)38-32(27-19-11-5-12-20-27)31(33(39-35)28-21-13-6-14-22-28)29(25-15-7-3-8-16-25)23-30(41)26-17-9-4-10-18-26/h3-22,29,31,33,39H,23H2,1-2H3/t29-,31-,33+/m0/s1
InChIKey WLOLWSLGSZMOJV-FXFVSWTPSA-N
Molecular Weight 568.677 g/mol
SMILES N1[C@@]([C@](C(=NC2=C1N=C(N(C2=O)OC)C)c1ccccc1)([C@@](CC(=O)c1ccccc1)(c1ccccc1)[H])[H])(c1ccccc1)[H]
SPLASH splash10-0a4i-1119030000-d1f4448e96d7be6f5eeb
Source of Spectrum Y-32-1233-3
Synonyms (3R,4R)- 2,3,6,7-Tetrahydro-8-methoxy-7-methyl-3-((R)3'-oxo-1',3'-diphenylpropyl)-2,4-diphenyl-1H-pyrimido[4,5-b][1,4]diazepin-6-one
Wiley ID 1407563