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Summary Geometry Related PDB entries

IAY

Summary

Name:	4-{6-[(E)-2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethen-1-yl]pyridin-2-yl}morpholine
Formula:	C21 H22 N4 O
Formal charge:	0
Formula weight:	346.426 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	4-{6-[(E)-2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethen-1-yl]pyridin-2-yl}morpholine
OpenEye OEToolkits	3.1.0.0	4-[6-[(~{E})-2-(1-methyl-4-phenyl-imidazol-2-yl)ethenyl]pyridin-2-yl]morpholine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Cn1cc(nc1/C=C/c1nc(ccc1)N1CCOCC1)c1ccccc1
InChI	InChI	1.06	InChI=1S/C21H22N4O/c1-24-16-19(17-6-3-2-4-7-17)23-20(24)11-10-18-8-5-9-21(22-18)25-12-14-26-15-13-25/h2-11,16H,12-15H2,1H3/b11-10+
InChIKey	InChI	1.06	PFCAQBAINVKJJS-ZHACJKMWSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1cc(nc1\C=C\c2cccc(n2)N3CCOCC3)c4ccccc4
SMILES	CACTVS	3.385	Cn1cc(nc1C=Cc2cccc(n2)N3CCOCC3)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	Cn1cc(nc1/C=C/c2cccc(n2)N3CCOCC3)c4ccccc4
SMILES	OpenEye OEToolkits	3.1.0.0	Cn1cc(nc1C=Cc2cccc(n2)N3CCOCC3)c4ccccc4

247536

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