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SummaryGeometryRelated PDB entries

N1G

Summary
Name:1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide
Formula:C17 H13 N7 O
Formal charge:0
Formula weight:331.331 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide
OpenEye OEToolkits2.0.61,5-diphenyl-~{N}-(1~{H}-1,2,3,4-tetrazol-5-yl)pyrazole-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(Nc1nnnn1)(c4cc(c2ccccc2)n(c3ccccc3)n4)=O
InChIInChI1.03InChI=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)
InChIKeyInChI1.03QVLVNOAMAMUIJM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C(Nc1[nH]nnn1)c2cc(n(n2)c3ccccc3)c4ccccc4
SMILESCACTVS3.385O=C(Nc1[nH]nnn1)c2cc(n(n2)c3ccccc3)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)c2cc(nn2c3ccccc3)C(=O)Nc4[nH]nnn4
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)c2cc(nn2c3ccccc3)C(=O)Nc4[nH]nnn4

222415

PDB entries from 2024-07-10

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