English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

A1AZU

Summary

Name:	4-[(diethylamino)methyl]-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide
Formula:	C25 H35 N3 O2
Formal charge:	0
Formula weight:	409.564 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-[(diethylamino)methyl]-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide
OpenEye OEToolkits	2.0.7	4-(diethylaminomethyl)-~{N}-[2-(2-methoxyphenyl)ethyl]-~{N}-[(3~{R})-pyrrolidin-3-yl]benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCN(CC)Cc1ccc(cc1)C(=O)N(CCc1ccccc1OC)C1CCNC1
InChI	InChI	1.06	InChI=1S/C25H35N3O2/c1-4-27(5-2)19-20-10-12-22(13-11-20)25(29)28(23-14-16-26-18-23)17-15-21-8-6-7-9-24(21)30-3/h6-13,23,26H,4-5,14-19H2,1-3H3/t23-/m1/s1
InChIKey	InChI	1.06	XKPJTOHUPQWSOJ-HSZRJFAPSA-N
SMILES_CANONICAL	CACTVS	3.385	CCN(CC)Cc1ccc(cc1)C(=O)N(CCc2ccccc2OC)[C@@H]3CCNC3
SMILES	CACTVS	3.385	CCN(CC)Cc1ccc(cc1)C(=O)N(CCc2ccccc2OC)[CH]3CCNC3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCN(CC)Cc1ccc(cc1)C(=O)N(CCc2ccccc2OC)[C@@H]3CCNC3
SMILES	OpenEye OEToolkits	2.0.7	CCN(CC)Cc1ccc(cc1)C(=O)N(CCc2ccccc2OC)C3CCNC3

248335

PDB entries from 2026-01-28

PDB statistics

PDBj update info

Contact PDBj

numon