(6E)-2,3-dimethoxy-6-[4-(1-phenylpyrazol-4-yl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-2,3-dimethoxy-6-[4-(1-phenylpyrazol-4-yl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-2,3-dimethoxy-6-[4-(1-phenylpyrazol-4-yl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-2,3-dimethoxy-6-[4-(1-phenyl-4-pyrazolyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-2,3-dimethoxy-6-[4-(1-phenylpyrazol-4-yl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-2,3-dimethoxy-6-[4-(1-phenylpyrazol-4-yl)-3-pyrazolin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C(=C2C(=CNN2)C3=CN(N=C3)C4=CC=CC=C4)C=C1)OC

Isomeric SMILES

COC1=C(C(=O)/C(=C/2\C(=CNN2)C3=CN(N=C3)C4=CC=CC=C4)/C=C1)OC

InChI

InChI=1S/C20H18N4O3/c1-26-17-9-8-15(19(25)20(17)27-2)18-16(11-21-23-18)13-10-22-24(12-13)14-6-4-3-5-7-14/h3-12,21,23H,1-2H3/b18-15+