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

Systemtic Name: 6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yloxy)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-ethoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yloxy)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-ethoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yloxy)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-ethoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yloxy)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-ethoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yloxy)-5-methyl-3-pyrazolin-3-ylidene]-3-ethoxy-cyclohexa-2,4-dien-1-one Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=O)C(=C2C(=C(NN2)C)OC3=CC4=C(C=C3)OCCCO4)C=C1

Isomeric SMILES

CCOC1=CC(=O)C(=C2C(=C(NN2)C)OC3=CC4=C(C=C3)OCCCO4)C=C1

InChI

InChI=1S/C21H22N2O5/c1-3-25-14-5-7-16(17(24)11-14)20-21(13(2)22-23-20)28-15-6-8-18-19(12-15)27-10-4-9-26-18/h5-8,11-12,22-23H,3-4,9-10H2,1-2H3