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Summary Geometry Related PDB entries

OI4

Summary

Name:	(4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C16 H15 Cl N2 O2
Formal charge:	0
Formula weight:	302.756 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
OpenEye OEToolkits	2.0.7	(4~{R})-6-chloranyl-~{N}-(4-methylpyridin-3-yl)-3,4-dihydro-2~{H}-chromene-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1ccncc1NC(=O)C1CCOc2ccc(Cl)cc21
InChI	InChI	1.06	InChI=1S/C16H15ClN2O2/c1-10-4-6-18-9-14(10)19-16(20)12-5-7-21-15-3-2-11(17)8-13(12)15/h2-4,6,8-9,12H,5,7H2,1H3,(H,19,20)/t12-/m1/s1
InChIKey	InChI	1.06	KJMNRTLNVIILOB-GFCCVEGCSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1ccncc1NC(=O)[C@@H]2CCOc3ccc(Cl)cc23
SMILES	CACTVS	3.385	Cc1ccncc1NC(=O)[CH]2CCOc3ccc(Cl)cc23
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1ccncc1NC(=O)[C@@H]2CCOc3c2cc(cc3)Cl
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccncc1NC(=O)C2CCOc3c2cc(cc3)Cl

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