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1-(4-Benzhydryl-piperazin-1-ylmethyl)-3-(3-trifluoromethyl-phenylimino)-1,3-dihydro-indol-2-one
SpectraBase Compound ID D9gClDULicj
InChI InChI=1S/C33H29F3N4O/c34-33(35,36)26-14-9-15-27(22-26)37-30-28-16-7-8-17-29(28)40(32(30)41)23-38-18-20-39(21-19-38)31(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-17,22,31H,18-21,23H2/b37-30-
InChIKey OBRPWKIRXNWXSV-ONQIKCEGSA-N
Mol Weight 554.6 g/mol
Molecular Formula C33H29F3N4O
Exact Mass 554.229346 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IsGXDBBQNQt
Name 1-(4-Benzhydryl-piperazin-1-ylmethyl)-3-(3-trifluoromethyl-phenylimino)-1,3-dihydro-indol-2-one
Alternate Name(s) (3Z)-1-[(4-benzhydryl-1-piperazinyl)methyl]-3-{[3-(trifluoromethyl)phenyl]imino}-1,3-dihydro-2H-indol-2-one 1-[(4-benzhydryl-1-piperazinyl)methyl]-3-{[3-(trifluoromethyl)phenyl]imino}-1,3-dihydro-2H-indol-2-one
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Formula C33H29F3N4O
InChI InChI=1S/C33H29F3N4O/c34-33(35,36)26-14-9-15-27(22-26)37-30-28-16-7-8-17-29(28)40(32(30)41)23-38-18-20-39(21-19-38)31(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-17,22,31H,18-21,23H2/b37-30-
InChIKey OBRPWKIRXNWXSV-ONQIKCEGSA-N
Molecular Weight 554.617 g/mol
SMILES c1ccc(C(N2CCN(CN3C(\C(=N/c4cc(C(F)(F)F)ccc4)c4c3cccc4)=O)CC2)c2ccccc2)cc1
SPLASH splash10-014i-2950010000-a3f66c1eb4fe2190f1af
Wiley ID 1447109