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Summary Geometry Related PDB entries

8NJ

Summary

Name:	6-methyl-4-(2-phenoxyphenyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
Formula:	C20 H16 N2 O2
Formal charge:	0
Formula weight:	316.353 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6-methyl-4-(2-phenoxyphenyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
OpenEye OEToolkits	2.0.6	6-methyl-4-(2-phenoxyphenyl)-1~{H}-pyrrolo[2,3-c]pyridin-7-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cccc(c1)Oc2ccccc2C=4c3ccnc3C(N(C=4)C)=O
InChI	InChI	1.03	InChI=1S/C20H16N2O2/c1-22-13-17(16-11-12-21-19(16)20(22)23)15-9-5-6-10-18(15)24-14-7-3-2-4-8-14/h2-13,21H,1H3
InChIKey	InChI	1.03	NUAFIMXCNWRSMX-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1C=C(c2ccccc2Oc3ccccc3)c4cc[nH]c4C1=O
SMILES	CACTVS	3.385	CN1C=C(c2ccccc2Oc3ccccc3)c4cc[nH]c4C1=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CN1C=C(c2cc[nH]c2C1=O)c3ccccc3Oc4ccccc4
SMILES	OpenEye OEToolkits	2.0.6	CN1C=C(c2cc[nH]c2C1=O)c3ccccc3Oc4ccccc4

224931

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