Q98

11-oxa-8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one

Created:	2020-05-27
Last modified:	2020-06-03

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1 entries where Q98 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	16

2D diagram of Q98

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Chemical Component Summary
Name	11-oxa-8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one
Formula	C₁₇ H₁₇ N₅ O₂
Molecular Weight	323.349
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C1NCCOCCNc2ccn3ncc(c4cccc1c4)c3n2
SMILES	OpenEye OEToolkits	2.0.7	c1cc-2cc(c1)C(=O)NCCOCCNc3ccn4c(c2cn4)n3
Canonical SMILES	CACTVS	3.385	O=C1NCCOCCNc2ccn3ncc(c4cccc1c4)c3n2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc-2cc(c1)C(=O)NCCOCCNc3ccn4c(c2cn4)n3
InChI	InChI	1.03	InChI=1S/C17H17N5O2/c23-17-13-3-1-2-12(10-13)14-11-20-22-7-4-15(21-16(14)22)18-5-8-24-9-6-19-17/h1-4,7,10-11H,5-6,8-9H2,(H,18,21)(H,19,23)
InChIKey	InChI	1.03	SOQJGMPMKVQEAL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	146672977

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