6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yloxy)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-methoxy-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-methoxy-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-methoxy-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-methoxy-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-methoxycyclohexa-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-methoxy-cyclohexa-2,4-dien-1-one Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=CC(=CC2=O)OC)NN1)OC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(C(=C2C=CC(=CC2=O)OC)NN1)OC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H20N2O5/c1-12-20(19(22-21-12)15-6-4-13(24-2)10-16(15)23)27-14-5-7-17-18(11-14)26-9-3-8-25-17/h4-7,10-11,21-22H,3,8-9H2,1-2H3