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

770

Summary

Name:	N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-9-YL]FORMAMIDE
Formula:	C21 H12 Cl N3 O3
Formal charge:	0
Formula weight:	389.791 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	N-[4-(2-chlorophenyl)-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-c]carbazol-9-yl]formamide
OpenEye OEToolkits	1.5.0	N-[4-(2-chlorophenyl)-1,3-dioxo-6H-pyrrolo[3,4-g]carbazol-9-yl]methanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1ccccc1c4c5c(c3c2cc(ccc2nc3c4)NC=O)C(=O)NC5=O
SMILES_CANONICAL	CACTVS	3.341	Clc1ccccc1c2cc3[nH]c4ccc(NC=O)cc4c3c5C(=O)NC(=O)c25
SMILES	CACTVS	3.341	Clc1ccccc1c2cc3[nH]c4ccc(NC=O)cc4c3c5C(=O)NC(=O)c25
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1ccc(c(c1)c2cc3c(c4cc(ccc4[nH]3)NC=O)c5c2C(=O)NC5=O)Cl
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(c(c1)c2cc3c(c4cc(ccc4[nH]3)NC=O)c5c2C(=O)NC5=O)Cl
InChI	InChI	1.03	InChI=1S/C21H12ClN3O3/c22-14-4-2-1-3-11(14)12-8-16-17(19-18(12)20(27)25-21(19)28)13-7-10(23-9-26)5-6-15(13)24-16/h1-9,24H,(H,23,26)(H,25,27,28)
InChIKey	InChI	1.03	JWZVNUNTFNELHL-UHFFFAOYSA-N

222415

数据于2024-07-10公开中

PDB statistics

PDBj update info

Contact PDBj

numon