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Summary Geometry Related PDB entries

A1BBV

Summary

Name:	N-(1-benzoyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(3-cyano-2-methoxyphenyl)acetamide
Formula:	C26 H23 N3 O3
Formal charge:	0
Formula weight:	425.479 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	N-(1-benzoyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(3-cyano-2-methoxyphenyl)acetamide
OpenEye OEToolkits	2.0.7	2-(3-cyano-2-methoxy-phenyl)-~{N}-[1-(phenylcarbonyl)-3,4-dihydro-2~{H}-quinolin-6-yl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	N#Cc1cccc(CC(=O)Nc2ccc3c(CCCN3C(=O)c3ccccc3)c2)c1OC
InChI	InChI	1.06	InChI=1S/C26H23N3O3/c1-32-25-20(9-5-10-21(25)17-27)16-24(30)28-22-12-13-23-19(15-22)11-6-14-29(23)26(31)18-7-3-2-4-8-18/h2-5,7-10,12-13,15H,6,11,14,16H2,1H3,(H,28,30)
InChIKey	InChI	1.06	FBPFRQJGDYZWBK-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1c(CC(=O)Nc2ccc3N(CCCc3c2)C(=O)c4ccccc4)cccc1C#N
SMILES	CACTVS	3.385	COc1c(CC(=O)Nc2ccc3N(CCCc3c2)C(=O)c4ccccc4)cccc1C#N
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1c(cccc1C#N)CC(=O)Nc2ccc3c(c2)CCCN3C(=O)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	COc1c(cccc1C#N)CC(=O)Nc2ccc3c(c2)CCCN3C(=O)c4ccccc4

248942

PDB entries from 2026-02-11

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