5-hexyl-3-methoxy-6-(4-phenyl-1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one

Systemtic Name: 5-hexyl-3-methoxy-6-(4-phenyl-1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one Openeye Name: 5-hexyl-3-methoxy-6-(4-phenyl-1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one CAS Name: 5-hexyl-3-methoxy-6-(4-phenyl-1,2-dihydropyrazol-3-ylidene)-1-cyclohexa-2,4-dienone IUPAC Name: 5-hexyl-3-methoxy-6-(4-phenyl-1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: 5-hexyl-3-methoxy-6-(4-phenyl-3-pyrazolin-3-ylidene)cyclohexa-2,4-dien-1-one Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=CC(=O)C1=C2C(=CNN2)C3=CC=CC=C3)OC

Isomeric SMILES

CCCCCCC1=CC(=CC(=O)C1=C2C(=CNN2)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H26N2O2/c1-3-4-5-7-12-17-13-18(26-2)14-20(25)21(17)22-19(15-23-24-22)16-10-8-6-9-11-16/h6,8-11,13-15,23-24H,3-5,7,12H2,1-2H3