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

Systemtic Name: 6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-4-propyl-cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-4-propyl-cyclohexa-2,4-dien-1-one CAS Name: 6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-4-propyl-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-4-propylcyclohexa-2,4-dien-1-one Traditional Name: 6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-pyrazolin-3-ylidene]-3-hydroxy-4-propyl-cyclohexa-2,4-dien-1-one Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C2C(=CNN2)C3=CC4=C(C=C3)OCCCO4)C(=O)C=C1O

Isomeric SMILES

CCCC1=CC(=C2C(=CNN2)C3=CC4=C(C=C3)OCCCO4)C(=O)C=C1O

InChI

InChI=1S/C21H22N2O4/c1-2-4-14-9-15(18(25)11-17(14)24)21-16(12-22-23-21)13-5-6-19-20(10-13)27-8-3-7-26-19/h5-6,9-12,22-24H,2-4,7-8H2,1H3