A1IUH

3,5-dimethyl-4-(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-1-yl)benzamide

Created:	2024-11-19
Last modified:	2025-04-02

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1 entries where A1IUH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	11

2D diagram of A1IUH

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Chemical Component Summary
Name	3,5-dimethyl-4-(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-1-yl)benzamide
Systematic Name (OpenEye OEToolkits)	3,5-dimethyl-4-(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-1-yl)benzamide
Formula	C₁₉ H₂₂ N₂ O₂
Molecular Weight	310.39
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1[nH]c(c2CCCCC(=O)c12)c3c(C)cc(cc3C)C(N)=O
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(cc(c1c2c3c(c([nH]2)C)C(=O)CCCC3)C)C(=O)N
Canonical SMILES	CACTVS	3.385	Cc1[nH]c(c2CCCCC(=O)c12)c3c(C)cc(cc3C)C(N)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(cc(c1c2c3c(c([nH]2)C)C(=O)CCCC3)C)C(=O)N
InChI	InChI	1.06	InChI=1S/C19H22N2O2/c1-10-8-13(19(20)23)9-11(2)16(10)18-14-6-4-5-7-15(22)17(14)12(3)21-18/h8-9,21H,4-7H2,1-3H3,(H2,20,23)
InChIKey	InChI	1.06	KAKQTYYUIRHUNV-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.