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

Systemtic Name: 3-butoxy-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 3-butoxy-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 3-butoxy-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 3-butoxy-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 3-butoxy-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-3-pyrazolin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=O)C(=C2C(=C(NN2)C)C3=CC4=C(C=C3)OCCCO4)C=C1

Isomeric SMILES

CCCCOC1=CC(=O)C(=C2C(=C(NN2)C)C3=CC4=C(C=C3)OCCCO4)C=C1

InChI

InChI=1S/C23H26N2O4/c1-3-4-10-27-17-7-8-18(19(26)14-17)23-22(15(2)24-25-23)16-6-9-20-21(13-16)29-12-5-11-28-20/h6-9,13-14,24-25H,3-5,10-12H2,1-2H3