DN3

3-[(dimethylamino)methyl]-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide

Created:	2012-01-20
Last modified:	2012-01-20

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1 entries where DN3 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	17

2D diagram of DN3

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Chemical Component Summary
Name	3-[(dimethylamino)methyl]-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
Systematic Name (OpenEye OEToolkits)	3-[(dimethylamino)methyl]-N-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]benzamide
Formula	C₁₇ H₁₈ N₆ O
Molecular Weight	322.364
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1cccc(c1)CN(C)C)Nc2cccc(c2)c3nnnn3
SMILES	CACTVS	3.370	CN(C)Cc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3
SMILES	OpenEye OEToolkits	1.7.6	CN(C)Cc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3
Canonical SMILES	CACTVS	3.370	CN(C)Cc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3
Canonical SMILES	OpenEye OEToolkits	1.7.6	CN(C)Cc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3
InChI	InChI	1.03	InChI=1S/C17H18N6O/c1-23(2)11-12-5-3-7-14(9-12)17(24)18-15-8-4-6-13(10-15)16-19-21-22-20-16/h3-10H,11H2,1-2H3,(H,18,24)(H,19,20,21,22)
InChIKey	InChI	1.03	YNFKRUNLXWQDEZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	56851707
ChEMBL	CHEMBL2031553

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