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Summary Geometry Related PDB entries

QQG

Summary

Name:	N-hydroxy-4-[(1-methyl-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)methyl]benzamide
Formula:	C21 H25 N3 O2
Formal charge:	0
Formula weight:	351.442 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-hydroxy-4-[(1-methyl-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)methyl]benzamide
OpenEye OEToolkits	2.0.7	4-[(1-methylspiro[2~{H}-indole-3,4'-piperidine]-1'-yl)methyl]-~{N}-oxidanyl-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C4C1(c2c(N(C1)C)cccc2)CCN(Cc3ccc(cc3)C(NO)=O)C4
InChI	InChI	1.03	InChI=1S/C21H25N3O2/c1-23-15-21(18-4-2-3-5-19(18)23)10-12-24(13-11-21)14-16-6-8-17(9-7-16)20(25)22-26/h2-9,26H,10-15H2,1H3,(H,22,25)
InChIKey	InChI	1.03	KRAFQDJIYXJLQM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1CC2(CCN(CC2)Cc3ccc(cc3)C(=O)NO)c4ccccc14
SMILES	CACTVS	3.385	CN1CC2(CCN(CC2)Cc3ccc(cc3)C(=O)NO)c4ccccc14
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN1CC2(CCN(CC2)Cc3ccc(cc3)C(=O)NO)c4c1cccc4
SMILES	OpenEye OEToolkits	2.0.7	CN1CC2(CCN(CC2)Cc3ccc(cc3)C(=O)NO)c4c1cccc4

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