Q7H

11,15-Dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one

Created:	2020-05-26
Last modified:	2020-06-03

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1 entries where Q7H is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	65
Chiral Atom Count	1
Bond Count	69
Aromatic Bond Count	16

2D diagram of Q7H

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Chemical Component Summary
Name	11,15-Dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
Formula	C₂₅ H₃₀ N₆ O₄
Molecular Weight	478.544
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN1CCCN(C)C(=O)COc2cc(Nc3ncnc4[nH]cc(C1)c34)ccc2O[CH]5CCOC=C5
SMILES	OpenEye OEToolkits	2.0.7	CN1CCCN(C(=O)COc2cc(ccc2OC3CCOC=C3)Nc4c5c(c[nH]c5ncn4)C1)C
Canonical SMILES	CACTVS	3.385	CN1CCCN(C)C(=O)COc2cc(Nc3ncnc4[nH]cc(C1)c34)ccc2O[C@H]5CCOC=C5
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN1CCCN(C(=O)COc2cc(ccc2O[C@H]3CCOC=C3)Nc4c5c(c[nH]c5ncn4)C1)C
InChI	InChI	1.03	InChI=1S/C25H30N6O4/c1-30-8-3-9-31(2)22(32)15-34-21-12-18(4-5-20(21)35-19-6-10-33-11-7-19)29-25-23-17(14-30)13-26-24(23)27-16-28-25/h4-6,10,12-13,16,19H,3,7-9,11,14-15H2,1-2H3,(H2,26,27,28,29)/t19-/m1/s1
InChIKey	InChI	1.03	HPBBITAJZLZSRK-LJQANCHMSA-N

Related Resource References

Resource Name	Reference
PubChem	146672976

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