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Chemistry, part 1

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 > organic amino compound > tertiary amino compound > npd6433
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > tertiary amino compound > npd6433
organooxygen compound > ester > carboxylic ester > methyl ester > npd6433
organooxygen compound > carbonyl compound > carboxylic ester > methyl ester > npd6433
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > triazene derivative > npd6433
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > indolyl carboxylate ester > npd6433
... > organic heterocyclic compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > indolyl carboxylate ester > npd6433
... > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzopyrrole > indoles > indolyl carboxylate ester > npd6433
organooxygen compound > ester > carboxylic ester > indolyl carboxylate ester > npd6433
organooxygen compound > carbonyl compound > carboxylic ester > indolyl carboxylate ester > npd6433
organic heterocyclic compound > npd6433

Preferred term

npd6433  

Type

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

Broader concept

charge

  • 0

formula

  • C21H21N5O3

has_role

inchi

  • InChI=1S/C21H21N5O3/c1-29-21(28)20-19(15-5-2-3-6-16(15)22-20)23-24-25-10-13-9-14(12-25)17-7-4-8-18(27)26(17)11-13/h2-8,13-14,22H,9-12H2,1H3/b24-23+

inchikey

  • IXWNPEOFLGJGLY-WCWDXBQESA-N

mass

  • 391.431

monoisotopicmass

  • 391.16444

smiles

  • COC(=O)C1=C(/N=N/N2CC3C[C@H](C2)C2=CC=CC(=O)N2C3)C2=C(N1)C=CC=C2

subset

  • 3_STAR

synonym EXACT

  • methyl 3-[(E)-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)diazenyl]-1H-indole-2-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:195528

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