18-CHLORO-2-OXO-17-[(PYRIDIN-4-YLMETHYL)AMINO]-2,3,11,12,13,14-HEXAHYDRO-1H,10H-4,8-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECINE-7-CARBONITRILE (CHEBI:49453)

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CHEBI:49453 - 18-CHLORO-2-OXO-17-[(PYRIDIN-4-YLMETHYL)AMINO]-2,3,11,12,13,14-HEXAHYDRO-1H,10H-4,8-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECINE-7-CARBONITRILE

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ChEBI ID	CHEBI:49453
ChEBI Name	18-CHLORO-2-OXO-17-[(PYRIDIN-4-YLMETHYL)AMINO]-2,3,11,12,13,14-HEXAHYDRO-1H,10H-4,8-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECINE-7-CARBONITRILE
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Last Modified	17 October 2009
Downloads	Molfile

Formula	C23H22ClN7O3
Net Charge	0
Average Mass	479.928
Monoisotopic Mass	479.14727
SMILES	[H]c1nc(C#N)c2nc1N([H])C(=O)N([H])c1c([H])c(Cl)c(N([H])C([H])([H])c3c([H])c([H])nc([H])c3[H])c([H])c1OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])O2
InChI	InChI=1S/C23H22ClN7O3/c24-16-10-18-20(11-17(16)27-13-15-4-6-26-7-5-15)33-8-2-1-3-9-34-22-19(12-25)28-14-21(30-22)31-23(32)29-18/h4-7,10-11,14,27H,1-3,8-9,13H2,(H2,29,30,31,32)
InChIKey	ZUEAHWHCYOLVEP-UHFFFAOYSA-N

ChEBI Ontology

Outgoing Relation(s)
	18-CHLORO-2-OXO-17-[(PYRIDIN-4-YLMETHYL)AMINO]-2,3,11,12,13,14-HEXAHYDRO-1H,10H-4,8-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECINE-7-CARBONITRILE (CHEBI:49453) is a unclassifieds (CHEBI:27189)

Synonyms	Source
18-chloro-2-oxo-17-[(pyridin-4-ylmethyl)amino]-2,3,11,12,13,14-hexahydro-1H,10H-4,8-(azeno)-9,15,1,3,6-benzodioxatriazacycloheptadecine-7-carbonitrile	PDBeChem
18-CHLORO-2-OXO-17-[(PYRIDIN-4-YLMETHYL)AMINO]-2,3,11,12,13,14-HEXAHYDRO-1H,10H-4,8-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECINE-7-CARBONITRILE	PDBeChem

Manual Xrefs	Databases
85A	PDBeChem