A1IUW

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

Created:	2024-11-21
Last modified:	2025-04-02

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2 entries where A1IUW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	11

2D diagram of A1IUW

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Chemical Component Summary
Name	3-methyl-4-(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-1-yl)benzamide
Systematic Name (OpenEye OEToolkits)	3-methyl-4-(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-1-yl)benzamide
Formula	C₁₈ H₂₀ N₂ O₂
Molecular Weight	296.364
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1[nH]c(c2CCCCC(=O)c12)c3ccc(cc3C)C(N)=O
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(ccc1c2c3c(c([nH]2)C)C(=O)CCCC3)C(=O)N
Canonical SMILES	CACTVS	3.385	Cc1[nH]c(c2CCCCC(=O)c12)c3ccc(cc3C)C(N)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(ccc1c2c3c(c([nH]2)C)C(=O)CCCC3)C(=O)N
InChI	InChI	1.06	InChI=1S/C18H20N2O2/c1-10-9-12(18(19)22)7-8-13(10)17-14-5-3-4-6-15(21)16(14)11(2)20-17/h7-9,20H,3-6H2,1-2H3,(H2,19,22)
InChIKey	InChI	1.06	ATVBLDDCYXMXQS-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.