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

61V

Summary

Name:	N-(1-benzylpiperidin-4-yl)-4-iodobenzamide
Formula:	C19 H21 I N2 O
Formal charge:	0
Formula weight:	420.287 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(1-benzylpiperidin-4-yl)-4-iodobenzamide
OpenEye OEToolkits	2.0.4	4-iodanyl-~{N}-[1-(phenylmethyl)piperidin-4-yl]benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1C(CCN(C1)Cc2ccccc2)NC(c3ccc(I)cc3)=O
InChI	InChI	1.03	InChI=1S/C19H21IN2O/c20-17-8-6-16(7-9-17)19(23)21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,23)
InChIKey	InChI	1.03	HELCSESNNDZLFM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Ic1ccc(cc1)C(=O)NC2CCN(CC2)Cc3ccccc3
SMILES	CACTVS	3.385	Ic1ccc(cc1)C(=O)NC2CCN(CC2)Cc3ccccc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	c1ccc(cc1)CN2CCC(CC2)NC(=O)c3ccc(cc3)I
SMILES	OpenEye OEToolkits	2.0.4	c1ccc(cc1)CN2CCC(CC2)NC(=O)c3ccc(cc3)I

222926

건을2024-07-24부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon