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Summary Geometry Related PDB entries

NPM

Summary

Name:	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
Synonyms:	1,1-BIS(N-(4-PHENYL)-2-PYRIDYLCARBOXALDIMINE)METHANE
Formula:	C25 H20 N4
Formal charge:	0
Formula weight:	376.453 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	4,4'-methanediylbis{N-[(1E)-pyridin-2-ylmethylidene]aniline}
OpenEye OEToolkits	1.5.0	1-pyridin-2-yl-N-[4-[[4-(pyridin-2-ylmethylideneamino)phenyl]methyl]phenyl]methanimine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	N(/c1ccc(cc1)Cc3ccc(/N=C/c2ncccc2)cc3)=C\c4ncccc4
SMILES_CANONICAL	CACTVS	3.341	C(c1ccc(cc1)N=Cc2ccccn2)c3ccc(cc3)N=Cc4ccccn4
SMILES	CACTVS	3.341	C(c1ccc(cc1)N=Cc2ccccn2)c3ccc(cc3)N=Cc4ccccn4
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1ccnc(c1)\C=N\c2ccc(cc2)Cc3ccc(cc3)/N=C/c4ccccn4
SMILES	OpenEye OEToolkits	1.5.0	c1ccnc(c1)C=Nc2ccc(cc2)Cc3ccc(cc3)N=Cc4ccccn4
InChI	InChI	1.03	InChI=1S/C25H20N4/c1-3-15-26-24(5-1)18-28-22-11-7-20(8-12-22)17-21-9-13-23(14-10-21)29-19-25-6-2-4-16-27-25/h1-16,18-19H,17H2/b28-18+,29-19+
InChIKey	InChI	1.03	OMZVNZJNZUGOJK-UOSOPFLXSA-N

223532

PDB entries from 2024-08-07

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