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Summary Geometry Related PDB entries

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Summary

Name:	1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione
Formula:	C22 H19 N3 O2
Formal charge:	0
Formula weight:	357.405 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C22H19N3O2/c26-21-17-4-1-2-5-18(17)22(27)20-16(6-3-7-19(20)21)14-12-24-25(13-14)15-8-10-23-11-9-15/h1-7,12-13,15,23H,8-11H2
InChIKey	InChI	1.03	RUCYSQLKCYBLDW-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C1c2ccccc2C(=O)c3c1cccc3c4cnn(c4)C5CCNCC5
SMILES	CACTVS	3.385	O=C1c2ccccc2C(=O)c3c1cccc3c4cnn(c4)C5CCNCC5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)C(=O)c3cccc(c3C2=O)c4cnn(c4)C5CCNCC5
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)C(=O)c3cccc(c3C2=O)c4cnn(c4)C5CCNCC5

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