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Summary Geometry Related PDB entries

B38

Summary

Name:	1'-(1H-indazol-7-ylcarbonyl)-6-methylspiro[chromene-2,4'-piperidin]-4(3H)-one
Formula:	C22 H21 N3 O3
Formal charge:	0
Formula weight:	375.42 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	1'-(1H-indazol-7-ylcarbonyl)-6-methylspiro[chromene-2,4'-piperidin]-4(3H)-one
OpenEye OEToolkits	1.5.0	1'-(1H-indazol-7-ylcarbonyl)-6-methyl-spiro[chroman-2,4'-piperidine]-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C4c5c(OC3(CCN(C(=O)c2cccc1cnnc12)CC3)C4)ccc(c5)C
SMILES_CANONICAL	CACTVS	3.341	Cc1ccc2OC3(CCN(CC3)C(=O)c4cccc5cn[nH]c45)CC(=O)c2c1
SMILES	CACTVS	3.341	Cc1ccc2OC3(CCN(CC3)C(=O)c4cccc5cn[nH]c45)CC(=O)c2c1
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1ccc2c(c1)C(=O)CC3(O2)CCN(CC3)C(=O)c4cccc5c4[nH]nc5
SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc2c(c1)C(=O)CC3(O2)CCN(CC3)C(=O)c4cccc5c4[nH]nc5
InChI	InChI	1.03	InChI=1S/C22H21N3O3/c1-14-5-6-19-17(11-14)18(26)12-22(28-19)7-9-25(10-8-22)21(27)16-4-2-3-15-13-23-24-20(15)16/h2-6,11,13H,7-10,12H2,1H3,(H,23,24)
InChIKey	InChI	1.03	IKCMGTBANLMNNP-UHFFFAOYSA-N

248636

PDB entries from 2026-02-04

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