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Summary Geometry Related PDB entries

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Summary

Name:	9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one
Formula:	C19 H11 N3 O
Formal charge:	0
Formula weight:	297.31 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C4N=C2C(=Cc3c(c1ccccc1)cccc23)n5ccnc45
InChI	InChI	1.03	InChI=1S/C19H11N3O/c23-19-18-20-9-10-22(18)16-11-15-13(12-5-2-1-3-6-12)7-4-8-14(15)17(16)21-19/h1-11H
InChIKey	InChI	1.03	SFZNDQGUHVYHPD-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C1N=C2C(=Cc3c(cccc23)c4ccccc4)n5ccnc15
SMILES	CACTVS	3.385	O=C1N=C2C(=Cc3c(cccc23)c4ccccc4)n5ccnc15
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1ccc(cc1)c2cccc3c2C=C4C3=NC(=O)c5n4ccn5
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)c2cccc3c2C=C4C3=NC(=O)c5n4ccn5

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