7C1

4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzenecarboximidamide

Created:	2009-08-06
Last modified:	2021-03-13

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1 entries where 7C1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	12

2D diagram of 7C1

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Chemical Component Summary
Name	4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzenecarboximidamide
Synonyms	4-(4-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzene-1-carboximidamide
Systematic Name (OpenEye OEToolkits)	4-(4-methyl-1,3-dioxo-isoindol-2-yl)benzenecarboximidamide
Formula	C₁₆ H₁₃ N₃ O₂
Molecular Weight	279.293
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=C2c1cccc(c1C(=O)N2c3ccc(C(=[N@H])N)cc3)C
SMILES	CACTVS	3.352	Cc1cccc2C(=O)N(C(=O)c12)c3ccc(cc3)C(N)=N
SMILES	OpenEye OEToolkits	1.7.0	Cc1cccc2c1C(=O)N(C2=O)c3ccc(cc3)C(=N)N
Canonical SMILES	CACTVS	3.352	Cc1cccc2C(=O)N(C(=O)c12)c3ccc(cc3)C(N)=N
Canonical SMILES	OpenEye OEToolkits	1.7.0	[H]/N=C(\c1ccc(cc1)N2C(=O)c3cccc(c3C2=O)C)/N
InChI	InChI	1.03	InChI=1S/C16H13N3O2/c1-9-3-2-4-12-13(9)16(21)19(15(12)20)11-7-5-10(6-8-11)14(17)18/h2-8H,1H3,(H3,17,18)
InChIKey	InChI	1.03	KDWKLFURLBISCV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	46840166
ChEMBL	CHEMBL1230558

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.