(6E)-2-methyl-6-[5-methyl-4-(1-phenyl-4H-pyrazol-1-ium-4-yl)-1,2-dihydropyrazol-3-ylidene]-3-phenylmethoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-2-methyl-6-[5-methyl-4-(1-phenyl-4H-pyrazol-1-ium-4-yl)-1,2-dihydropyrazol-3-ylidene]-3-phenylmethoxy-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-3-benzyloxy-2-methyl-6-[5-methyl-4-(1-phenyl-4H-pyrazol-1-ium-4-yl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-2-methyl-6-[5-methyl-4-(1-phenyl-4H-pyrazol-1-ium-4-yl)-1,2-dihydropyrazol-3-ylidene]-3-phenylmethoxy-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-2-methyl-6-[5-methyl-4-(1-phenyl-4H-pyrazol-1-ium-4-yl)-1,2-dihydropyrazol-3-ylidene]-3-phenylmethoxycyclohexa-2,4-dien-1-one Traditional Name: (6E)-3-benzoxy-2-methyl-6-[5-methyl-4-(1-phenyl-4H-pyrazol-1-ium-4-yl)-3-pyrazolin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C27H25N4O2+ MolecularWeight: 437.513

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C2C(=C(NN2)C)C3C=N[N+](=C3)C4=CC=CC=C4)C1=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C/C(=C\2/C(=C(NN2)C)C3C=N[N+](=C3)C4=CC=CC=C4)/C1=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H24N4O2/c1-18-24(33-17-20-9-5-3-6-10-20)14-13-23(27(18)32)26-25(19(2)29-30-26)21-15-28-31(16-21)22-11-7-4-8-12-22/h3-16,21H,17H2,1-2H3,(H-,29,30,32)/p+1