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

6ZP

Summary

Name:	2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile
Formula:	C23 H15 N3 O
Formal charge:	0
Formula weight:	349.385 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile
OpenEye OEToolkits	2.0.5	2-(2-oxidanylidene-1-phenyl-5-pyridin-2-yl-pyridin-3-yl)benzenecarbonitrile

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N#Cc1ccccc1C3=CC(c2ncccc2)=CN(C3=O)c4ccccc4
InChI	InChI	1.03	InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H
InChIKey	InChI	1.03	PRMWGUBFXWROHD-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C1N(C=C(C=C1c2ccccc2C#N)c3ccccn3)c4ccccc4
SMILES	CACTVS	3.385	O=C1N(C=C(C=C1c2ccccc2C#N)c3ccccn3)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.5	c1ccc(cc1)N2C=C(C=C(C2=O)c3ccccc3C#N)c4ccccn4
SMILES	OpenEye OEToolkits	2.0.5	c1ccc(cc1)N2C=C(C=C(C2=O)c3ccccc3C#N)c4ccccn4

227111

數據於2024-11-06公開中

PDB statistics

PDBj update info

Contact PDBj

numon