N-octan-3-yl-5-oxidanylidene-4-phenyl-1,2,3,4-tetrazole-1-carboxamide

Systemtic Name: N-octan-3-yl-5-oxidanylidene-4-phenyl-1,2,3,4-tetrazole-1-carboxamide Openeye Name: N-(1-ethylhexyl)-5-oxo-4-phenyl-tetrazole-1-carboxamide CAS Name: N-octan-3-yl-5-oxo-4-phenyl-1-tetrazolecarboxamide IUPAC Name: N-octan-3-yl-5-oxo-4-phenyltetrazole-1-carboxamide Traditional Name: N-(1-ethylhexyl)-5-keto-4-phenyl-tetrazole-1-carboxamide Formula: C16H23N5O2 MolecularWeight: 317.38612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC(=O)N1C(=O)N(N=N1)C2=CC=CC=C2

Isomeric SMILES

CCCCCC(CC)NC(=O)N1C(=O)N(N=N1)C2=CC=CC=C2

InChI

InChI=1S/C16H23N5O2/c1-3-5-7-10-13(4-2)17-15(22)21-16(23)20(18-19-21)14-11-8-6-9-12-14/h6,8-9,11-13H,3-5,7,10H2,1-2H3,(H,17,22)