N1G

1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide

Created:	2018-09-06
Last modified:	2019-04-17

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2 entries where N1G is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	22

2D diagram of N1G

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Chemical Component Summary
Name	1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide
Systematic Name (OpenEye OEToolkits)	1,5-diphenyl-~{N}-(1~{H}-1,2,3,4-tetrazol-5-yl)pyrazole-3-carboxamide
Formula	C₁₇ H₁₃ N₇ O
Molecular Weight	331.331
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(Nc1nnnn1)(c4cc(c2ccccc2)n(c3ccccc3)n4)=O
SMILES	CACTVS	3.385	O=C(Nc1[nH]nnn1)c2cc(n(n2)c3ccccc3)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)c2cc(nn2c3ccccc3)C(=O)Nc4[nH]nnn4
Canonical SMILES	CACTVS	3.385	O=C(Nc1[nH]nnn1)c2cc(n(n2)c3ccccc3)c4ccccc4
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)c2cc(nn2c3ccccc3)C(=O)Nc4[nH]nnn4
InChI	InChI	1.03	InChI=1S/C17H13N7O/c25-16(18-17-19-22-23-20-17)14-11-15(12-7-3-1-4-8-12)24(21-14)13-9-5-2-6-10-13/h1-11H,(H2,18,19,20,22,23,25)
InChIKey	InChI	1.03	QVLVNOAMAMUIJM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135379590

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