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

NI4

Summary

Name:	(5~{Z})-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one
Formula:	C22 H23 N3 O2
Formal charge:	0
Formula weight:	361.437 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(5~{Z})-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C22H23N3O2/c1-24(14-15-26)19-11-8-18(9-12-19)16-20-22(27)25(2)21(23-20)13-10-17-6-4-3-5-7-17/h3-13,16,26H,14-15H2,1-2H3/b13-10+,20-16-
InChIKey	InChI	1.06	ZFOXSTQDZTYDAX-GHAMAFACSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(CCO)c1ccc(cc1)\C=C2/N=C(/C=C/c3ccccc3)N(C)C2=O
SMILES	CACTVS	3.385	CN(CCO)c1ccc(cc1)C=C2N=C(C=Cc3ccccc3)N(C)C2=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN1C(=N/C(=C\c2ccc(cc2)N(C)CCO)/C1=O)/C=C/c3ccccc3
SMILES	OpenEye OEToolkits	2.0.7	CN1C(=NC(=Cc2ccc(cc2)N(C)CCO)C1=O)C=Cc3ccccc3

222415

PDB entries from 2024-07-10

PDB statistics

PDBj update info

Contact PDBj

numon