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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > gt-951

Preferred term

gt-951  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C31H30F3N7O2

has_role

inchi

  • InChI=1S/C31H30F3N7O2/c1-43-25-10-11-27-22(18-25)19-26(30(42)35-27)28(29-36-37-38-41(29)13-12-21-6-3-2-4-7-21)40-16-14-39(15-17-40)24-9-5-8-23(20-24)31(32,33)34/h2-11,18-20,28H,12-17H2,1H3,(H,35,42)

inchikey

  • FAUBXPJKRZBEGW-UHFFFAOYSA-N

mass

  • 589.623

monoisotopicmass

  • 589.24131

smiles

  • COC1=CC=C2C(=C1)C=C(C(C3=NN=NN3CCC4=CC=CC=C4)N5CCN(CC5)C6=CC=CC(=C6)C(F)(F)F)C(N2)=O

subset

  • 2_STAR

synonym EXACT

  • 6-methoxy-3-[[1-(2-phenylethyl)tetrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-quinolin-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232863

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