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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > amino acid amide > (3ar,4s,9ar,9bs)-n-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[1,2]pyrrolo[3,5-b]pyridazine-4-carboxamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > amino acid amide > (3ar,4s,9ar,9bs)-n-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[1,2]pyrrolo[3,5-b]pyridazine-4-carboxamide
organooxygen compound > carboxamide > amino acid amide > (3ar,4s,9ar,9bs)-n-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[1,2]pyrrolo[3,5-b]pyridazine-4-carboxamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > amino acid amide > (3ar,4s,9ar,9bs)-n-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[1,2]pyrrolo[3,5-b]pyridazine-4-carboxamide

Preferred term

(3ar,4s,9ar,9bs)-n-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[1,2]pyrrolo[3,5-b]pyridazine-4-carboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C22H16ClFN4O3

inchi

  • InChI=1S/C22H16ClFN4O3/c23-12-3-7-14(8-4-12)26-20(29)19-18-17(16-2-1-11-25-28(16)19)21(30)27(22(18)31)15-9-5-13(24)6-10-15/h1-11,16-19H,(H,26,29)/t16-,17-,18-,19+/m1/s1

inchikey

  • FQVXJUPZAGDTDC-MKXGPGLRSA-N

mass

  • 438.840

monoisotopicmass

  • 438.08950

smiles

  • C1=C[C@@H]2[C@@H]3[C@H]([C@H](N2N=C1)C(=O)NC4=CC=C(C=C4)Cl)C(=O)N(C3=O)C5=CC=C(C=C5)F

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:114238

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