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(E)-4-(((1-(4-chlorobenzoyl)-1H-indol-3-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID DU6rYOdbOED
InChI InChI=1S/C27H21ClN4O2/c1-18-25(27(34)32(30(18)2)22-8-4-3-5-9-22)29-16-20-17-31(24-11-7-6-10-23(20)24)26(33)19-12-14-21(28)15-13-19/h3-17H,1-2H3/b29-16+
InChIKey VMNXVJFACODTCJ-MUFRIFMGSA-N
Mol Weight 468.94 g/mol
Molecular Formula C27H21ClN4O2
Exact Mass 468.135304 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6PgiJjlYUJp
Name (E)-4-(((1-(4-chlorobenzoyl)-1H-indol-3-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H21ClN4O2
InChI InChI=1S/C27H21ClN4O2/c1-18-25(27(34)32(30(18)2)22-8-4-3-5-9-22)29-16-20-17-31(24-11-7-6-10-23(20)24)26(33)19-12-14-21(28)15-13-19/h3-17H,1-2H3/b29-16+
InChIKey VMNXVJFACODTCJ-MUFRIFMGSA-N
Literature Reference DOI 10.1016/j.ejmech.2016.08.013
Molecular Weight 468.944 g/mol
SMILES c1ccc2c(c1)c(c[n]2C(c1ccc(cc1)Cl)=O)\C=N\C1=C(N(N(C1=O)c1ccccc1)C)C
SPLASH splash10-0100-0336900000-b77bb57b762ab435f900
Source of Spectrum Phoebe F. Lamie, et al. European Journal of Medicinal Chemistry, 10.1016/j.ejmech.2016.08.013
Wiley ID 1815271