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Summary Geometry Related PDB entries

0NV

Summary

Name:	1-(1-benzylpiperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine
Formula:	C20 H21 N5
Formal charge:	0
Formula weight:	331.414 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-(1-benzylpiperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n4c5c(c1c(ncn1C3CCN(Cc2ccccc2)CC3)c4)ccn5
InChI	InChI	1.03	InChI=1S/C20H21N5/c1-2-4-15(5-3-1)13-24-10-7-16(8-11-24)25-14-23-18-12-22-20-17(19(18)25)6-9-21-20/h1-6,9,12,14,16H,7-8,10-11,13H2,(H,21,22)
InChIKey	InChI	1.03	WKWXJWGOAKGEEM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	C1CN(CCC1n2cnc3cnc4[nH]ccc4c23)Cc5ccccc5
SMILES	CACTVS	3.370	C1CN(CCC1n2cnc3cnc4[nH]ccc4c23)Cc5ccccc5
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1ccc(cc1)CN2CCC(CC2)n3cnc4c3c5cc[nH]c5nc4
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)CN2CCC(CC2)n3cnc4c3c5cc[nH]c5nc4

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