6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one CAS Name: 6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-[(4-fluorophenyl)methoxy]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one Traditional Name: 6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-3-pyrazolin-3-ylidene]-4-ethyl-3-(4-fluorobenzyl)oxy-cyclohexa-2,4-dien-1-one Formula: C28H27FN2O4 MolecularWeight: 474.523383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C(NN2)C)C3=CC4=C(C=C3)OCCCO4)C(=O)C=C1OCC5=CC=C(C=C5)F

Isomeric SMILES

CCC1=CC(=C2C(=C(NN2)C)C3=CC4=C(C=C3)OCCCO4)C(=O)C=C1OCC5=CC=C(C=C5)F

InChI

InChI=1S/C28H27FN2O4/c1-3-19-13-22(23(32)15-25(19)35-16-18-5-8-21(29)9-6-18)28-27(17(2)30-31-28)20-7-10-24-26(14-20)34-12-4-11-33-24/h5-10,13-15,30-31H,3-4,11-12,16H2,1-2H3