Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

N17 : Summary

Code

N17

One-letter code

X

Molecule name

3-(4-methyl-1H-imidazol-1-yl)-N-[4-(pyridin-4-yloxy)phenyl]benzamide

Systematic names

ProgramVersionName
ACDLabs 12.01 3-(4-methyl-1H-imidazol-1-yl)-N-[4-(pyridin-4-yloxy)phenyl]benzamide
OpenEye OEToolkits 1.7.6 3-(4-methylimidazol-1-yl)-N-(4-pyridin-4-yloxyphenyl)benzamide

Formula

C22 H18 N4 O2

Formal charge

0

Molecular weight

370.404 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(Nc2ccc(Oc1ccncc1)cc2)c3cccc(c3)n4cc(nc4)C
SMILES CACTVS 3.385 Cc1cn(cn1)c2cccc(c2)C(=O)Nc3ccc(Oc4ccncc4)cc3
SMILES OpenEye OEToolkits 1.7.6 Cc1cn(cn1)c2cccc(c2)C(=O)Nc3ccc(cc3)Oc4ccncc4
Canonical SMILES CACTVS 3.385 Cc1cn(cn1)c2cccc(c2)C(=O)Nc3ccc(Oc4ccncc4)cc3
Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1cn(cn1)c2cccc(c2)C(=O)Nc3ccc(cc3)Oc4ccncc4

IUPAC InChI

InChI=1S/C22H18N4O2/c1-16-14-26(15-24-16)19-4-2-3-17(13-19)22(27)25-18-5-7-20(8-6-18)28-21-9-11-23-12-10-21/h2-15H,1H3,(H,25,27)

IUPAC InChI key

TXKSFDQJSFSHRB-UHFFFAOYSA-N
N17

wwPDB Information

Atom count

46 (28 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-09-13

Last modified at

2016-07-01

Status

Released

Obsoleted

Not Assigned