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1-[4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-1-piperazinyl]-2-(9H-xanthen-9-yl)ethanone
SpectraBase Compound ID Lx011kwJJQf
InChI InChI=1S/C30H29N5O4/c1-20-17-21(2)34(31-20)27-18-22(11-12-26(27)35(37)38)32-13-15-33(16-14-32)30(36)19-25-23-7-3-5-9-28(23)39-29-10-6-4-8-24(25)29/h3-12,17-18,25H,13-16,19H2,1-2H3
InChIKey IGOUPQXLMPXRGE-UHFFFAOYSA-N
Mol Weight 523.59 g/mol
Molecular Formula C30H29N5O4
Exact Mass 523.221954 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Imnpnn5H9x4
Name 1-[4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-1-piperazinyl]-2-(9H-xanthen-9-yl)ethanone
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H29N5O4
InChI InChI=1S/C30H29N5O4/c1-20-17-21(2)34(31-20)27-18-22(11-12-26(27)35(37)38)32-13-15-33(16-14-32)30(36)19-25-23-7-3-5-9-28(23)39-29-10-6-4-8-24(25)29/h3-12,17-18,25H,13-16,19H2,1-2H3
InChIKey IGOUPQXLMPXRGE-UHFFFAOYSA-N
Molecular Weight 523.593 g/mol
SMILES c1cccc2C(CC(N3CCN(CC3)c3ccc(c(-[n]4nc(cc4C)C)c3)N(=O)=O)=O)c3c(Oc12)cccc3
SPLASH splash10-001i-4940000000-07528463be59b1762bde
Synonyms 1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]-2-(9H-xanthen-9-yl)ethanone 1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazino]-2-(9H-xanthen-9-yl)ethanone
Wiley ID 1512452