2-[5-(4-hexoxyphenyl)-4-phenyl-1,2-dihydropyrazol-3-ylidene]benzimidazole

Systemtic Name: 2-[5-(4-hexoxyphenyl)-4-phenyl-1,2-dihydropyrazol-3-ylidene]benzimidazole Openeye Name: 2-[5-(4-hexoxyphenyl)-4-phenyl-1,2-dihydropyrazol-3-ylidene]benzimidazole CAS Name: 2-[5-(4-hexoxyphenyl)-4-phenyl-1,2-dihydropyrazol-3-ylidene]benzimidazole IUPAC Name: 2-[5-(4-hexoxyphenyl)-4-phenyl-1,2-dihydropyrazol-3-ylidene]benzimidazole Traditional Name: 2-[5-(4-hexoxyphenyl)-4-phenyl-3-pyrazolin-3-ylidene]benzimidazole Formula: C28H28N4O MolecularWeight: 436.54812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=C(C(=C3N=C4C=CC=CC4=N3)NN2)C5=CC=CC=C5

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=C(C(=C3N=C4C=CC=CC4=N3)NN2)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O/c1-2-3-4-10-19-33-22-17-15-21(16-18-22)26-25(20-11-6-5-7-12-20)27(32-31-26)28-29-23-13-8-9-14-24(23)30-28/h5-9,11-18,31-32H,2-4,10,19H2,1H3