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1-[3'-Methylbenzoxazol-2'(3H)-on-6'-yl]-4-{4'-[2"-(2"',4"'-dichlorophenyl)-2'(1H-imidazol-1"-ylmethyl)-1',3'-dioxolan-4'-yl]methyleneoxy]phenyl}piperazine
SpectraBase Compound ID 6Yaq3bjLsPB
InChI InChI=1S/C32H31Cl2N5O5/c1-36-28-17-24(5-9-29(28)43-31(36)40)39-14-12-38(13-15-39)23-3-6-25(7-4-23)41-19-32(26-8-2-22(33)16-27(26)34)20-42-30(44-32)18-37-11-10-35-21-37/h2-11,16-17,21,30H,12-15,18-20H2,1H3
InChIKey TYEYPLMYQDGPSV-UHFFFAOYSA-N
Mol Weight 636.5 g/mol
Molecular Formula C32H31Cl2N5O5
Exact Mass 635.170225 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHuwWPd3cyv
Name 1-[3'-Methylbenzoxazol-2'(3H)-on-6'-yl]-4-{4'-[2"-(2"',4"'-dichlorophenyl)-2'(1H-imidazol-1"-ylmethyl)-1',3'-dioxolan-4'-yl]methyleneoxy]phenyl}piperazine
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Formula C32H31Cl2N5O5
InChI InChI=1S/C32H31Cl2N5O5/c1-36-28-17-24(5-9-29(28)43-31(36)40)39-14-12-38(13-15-39)23-3-6-25(7-4-23)41-19-32(26-8-2-22(33)16-27(26)34)20-42-30(44-32)18-37-11-10-35-21-37/h2-11,16-17,21,30H,12-15,18-20H2,1H3
InChIKey TYEYPLMYQDGPSV-UHFFFAOYSA-N
Molecular Weight 636.536 g/mol
SMILES C1(N(c2cc(N3CCN(CC3)c3ccc(OCC4(c5c(cc(cc5)Cl)Cl)OC(C[n]5cncc5)OC4)cc3)ccc2O1)C)=O
SPLASH splash10-000i-1001009000-e6094ac5dfdd824682b3
Source of Spectrum Y-29-1073-13
Synonyms 1-[3'-Methylbenzoxazol-2'(3H)-on-6'-yl]-4-{4'-[2''-(2''',4'''-dichlorophenyl)-2'(1H-imidazol-1''-ylmethyl)-1',3'-dioxolan-4'-yl]methyleneoxy]phenyl}piperazine 5-[4-(4-{[4-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinyl]-3-methyl-1,3-benzoxazol-2(3H)-one
Wiley ID 1412331