5-hexyl-3-methyl-6-oxidanylidene-4-phenylmethoxy-1-(5-phenyl-1,2,3,4-tetrazol-2-yl)cyclohexa-2,4-diene-1-carboxamide

Systemtic Name: 5-hexyl-3-methyl-6-oxidanylidene-4-phenylmethoxy-1-(5-phenyl-1,2,3,4-tetrazol-2-yl)cyclohexa-2,4-diene-1-carboxamide Openeye Name: 4-benzyloxy-5-hexyl-3-methyl-6-oxo-1-(5-phenyltetrazol-2-yl)cyclohexa-2,4-diene-1-carboxamide CAS Name: 5-hexyl-3-methyl-6-oxo-4-phenylmethoxy-1-(5-phenyl-2-tetrazolyl)-1-cyclohexa-2,4-dienecarboxamide IUPAC Name: 5-hexyl-3-methyl-6-oxo-4-phenylmethoxy-1-(5-phenyltetrazol-2-yl)cyclohexa-2,4-diene-1-carboxamide Traditional Name: 4-benzoxy-5-hexyl-6-keto-3-methyl-1-(5-phenyltetrazol-2-yl)cyclohexa-2,4-diene-1-carboxamide Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=CC(C1=O)(C(=O)N)N2N=C(N=N2)C3=CC=CC=C3)C)OCC4=CC=CC=C4

Isomeric SMILES

CCCCCCC1=C(C(=CC(C1=O)(C(=O)N)N2N=C(N=N2)C3=CC=CC=C3)C)OCC4=CC=CC=C4

InChI

InChI=1S/C28H31N5O3/c1-3-4-5-12-17-23-24(36-19-21-13-8-6-9-14-21)20(2)18-28(25(23)34,27(29)35)33-31-26(30-32-33)22-15-10-7-11-16-22/h6-11,13-16,18H,3-5,12,17,19H2,1-2H3,(H2,29,35)