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Summary Geometry Related PDB entries

A1B8M

Summary

Name:	N-(2,3-dihydro-1H-isoindol-5-yl)-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indole-5-carboxamide
Formula:	C19 H19 N3 O2
Formal charge:	0
Formula weight:	321.373 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	N-(2,3-dihydro-1H-isoindol-5-yl)-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indole-5-carboxamide
OpenEye OEToolkits	3.1.0.0	~{N}-(2,3-dihydro-1~{H}-isoindol-5-yl)-3,3-dimethyl-2-oxidanylidene-1~{H}-indole-5-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C1Nc2ccc(cc2C1(C)C)C(=O)Nc1ccc2CNCc2c1
InChI	InChI	1.06	InChI=1S/C19H19N3O2/c1-19(2)15-8-11(4-6-16(15)22-18(19)24)17(23)21-14-5-3-12-9-20-10-13(12)7-14/h3-8,20H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKey	InChI	1.06	WHUUMKMADJLIFG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC1(C)C(=O)Nc2ccc(cc12)C(=O)Nc3ccc4CNCc4c3
SMILES	CACTVS	3.385	CC1(C)C(=O)Nc2ccc(cc12)C(=O)Nc3ccc4CNCc4c3
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	CC1(c2cc(ccc2NC1=O)C(=O)Nc3ccc4c(c3)CNC4)C
SMILES	OpenEye OEToolkits	3.1.0.0	CC1(c2cc(ccc2NC1=O)C(=O)Nc3ccc4c(c3)CNC4)C

250359

PDB entries from 2026-03-11

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