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Summary Geometry Related PDB entries

0T7

Summary

Name:	3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline
Formula:	C25 H24 N4 O
Formal charge:	0
Formula weight:	396.484 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline
OpenEye OEToolkits	1.7.6	3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n4c3c(ccc(OCc1nc2c(cc1)cccc2)c3)n5c(c4C)c(nc5CCC)C
InChI	InChI	1.03	InChI=1S/C25H24N4O/c1-4-7-24-27-17(3)25-16(2)26-22-14-20(12-13-23(22)29(24)25)30-15-19-11-10-18-8-5-6-9-21(18)28-19/h5-6,8-14H,4,7,15H2,1-3H3
InChIKey	InChI	1.03	GTARNYHXAGVZST-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	CCCc1nc(C)c2n1c3ccc(OCc4ccc5ccccc5n4)cc3nc2C
SMILES	CACTVS	3.370	CCCc1nc(C)c2n1c3ccc(OCc4ccc5ccccc5n4)cc3nc2C
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	CCCc1nc(c2n1c3ccc(cc3nc2C)OCc4ccc5ccccc5n4)C
SMILES	OpenEye OEToolkits	1.7.6	CCCc1nc(c2n1c3ccc(cc3nc2C)OCc4ccc5ccccc5n4)C

218500

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