(6E)-6-[4-(4-tert-butylphenoxy)-1,2-dihydropyrazol-3-ylidene]-3-phenethyloxy-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[4-(4-tert-butylphenoxy)-1,2-dihydropyrazol-3-ylidene]-3-phenethyloxy-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[4-(4-tert-butylphenoxy)-1,2-dihydropyrazol-3-ylidene]-3-phenethyloxy-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[4-(4-tert-butylphenoxy)-1,2-dihydropyrazol-3-ylidene]-3-phenethyloxy-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[4-(4-tert-butylphenoxy)-1,2-dihydropyrazol-3-ylidene]-3-phenethyloxycyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[4-(4-tert-butylphenoxy)-3-pyrazolin-3-ylidene]-3-phenethyloxy-cyclohexa-2,4-dien-1-one Formula: C27H28N2O3 MolecularWeight: 428.52282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=CNNC2=C3C=CC(=CC3=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC\2=CNN/C2=C/3\C=CC(=CC3=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O3/c1-27(2,3)20-9-11-21(12-10-20)32-25-18-28-29-26(25)23-14-13-22(17-24(23)30)31-16-15-19-7-5-4-6-8-19/h4-14,17-18,28-29H,15-16H2,1-3H3/b26-23+