A1CZV

(7M)-1',8-dimethyl-7-(2-methylpyridin-4-yl)spiro[[1]benzopyran-2,4'-piperidin]-4(3H)-one

Created:	2025-11-04
Last modified:	2026-02-18

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1 entries where A1CZV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	0
Bond Count	52
Aromatic Bond Count	12

2D diagram of A1CZV

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Chemical Component Summary
Name	(7M)-1',8-dimethyl-7-(2-methylpyridin-4-yl)spiro[[1]benzopyran-2,4'-piperidin]-4(3H)-one
Systematic Name (OpenEye OEToolkits)	1',8-dimethyl-7-(2-methylpyridin-4-yl)spiro[3~{H}-chromene-2,4'-piperidine]-4-one
Formula	C₂₁ H₂₄ N₂ O₂
Molecular Weight	336.427
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Cc1nccc(c1)c1ccc2c(OC3(CCN(C)CC3)CC2=O)c1C
SMILES	CACTVS	3.385	CN1CCC2(CC1)CC(=O)c3ccc(c(C)c3O2)c4ccnc(C)c4
SMILES	OpenEye OEToolkits	3.1.0.0	Cc1cc(ccn1)c2ccc3c(c2C)OC4(CCN(CC4)C)CC3=O
Canonical SMILES	CACTVS	3.385	CN1CCC2(CC1)CC(=O)c3ccc(c(C)c3O2)c4ccnc(C)c4
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	Cc1cc(ccn1)c2ccc3c(c2C)OC4(CCN(CC4)C)CC3=O
InChI	InChI	1.06	InChI=1S/C21H24N2O2/c1-14-12-16(6-9-22-14)17-4-5-18-19(24)13-21(25-20(18)15(17)2)7-10-23(3)11-8-21/h4-6,9,12H,7-8,10-11,13H2,1-3H3
InChIKey	InChI	1.06	FNDUJJMYQXJLFX-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.