2-methyl-6-(5-methyl-4-phenoxy-1,2-dihydropyrazol-3-ylidene)-3-[(1-phenylpyrazol-4-yl)methoxy]cyclohexa-2,4-dien-1-one

Systemtic Name: 2-methyl-6-(5-methyl-4-phenoxy-1,2-dihydropyrazol-3-ylidene)-3-[(1-phenylpyrazol-4-yl)methoxy]cyclohexa-2,4-dien-1-one Openeye Name: 2-methyl-6-(5-methyl-4-phenoxy-1,2-dihydropyrazol-3-ylidene)-3-[(1-phenylpyrazol-4-yl)methoxy]cyclohexa-2,4-dien-1-one CAS Name: 2-methyl-6-(5-methyl-4-phenoxy-1,2-dihydropyrazol-3-ylidene)-3-[(1-phenyl-4-pyrazolyl)methoxy]-1-cyclohexa-2,4-dienone IUPAC Name: 2-methyl-6-(5-methyl-4-phenoxy-1,2-dihydropyrazol-3-ylidene)-3-[(1-phenylpyrazol-4-yl)methoxy]cyclohexa-2,4-dien-1-one Traditional Name: 2-methyl-6-(5-methyl-4-phenoxy-3-pyrazolin-3-ylidene)-3-[(1-phenylpyrazol-4-yl)methoxy]cyclohexa-2,4-dien-1-one Formula: C27H24N4O3 MolecularWeight: 452.50446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C2C(=C(NN2)C)OC3=CC=CC=C3)C1=O)OCC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C2C(=C(NN2)C)OC3=CC=CC=C3)C1=O)OCC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N4O3/c1-18-24(33-17-20-15-28-31(16-20)21-9-5-3-6-10-21)14-13-23(26(18)32)25-27(19(2)29-30-25)34-22-11-7-4-8-12-22/h3-16,29-30H,17H2,1-2H3