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

Systemtic Name: (6E)-6-[4-(4-tert-butylphenoxy)-1,2-dihydropyrazol-3-ylidene]-3-phenylmethoxy-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-3-benzyloxy-6-[4-(4-tert-butylphenoxy)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[4-(4-tert-butylphenoxy)-1,2-dihydropyrazol-3-ylidene]-3-phenylmethoxy-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[4-(4-tert-butylphenoxy)-1,2-dihydropyrazol-3-ylidene]-3-phenylmethoxycyclohexa-2,4-dien-1-one Traditional Name: (6E)-3-benzoxy-6-[4-(4-tert-butylphenoxy)-3-pyrazolin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=CNNC2=C3C=CC(=CC3=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC\2=CNN/C2=C/3\C=CC(=CC3=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O3/c1-26(2,3)19-9-11-20(12-10-19)31-24-16-27-28-25(24)22-14-13-21(15-23(22)29)30-17-18-7-5-4-6-8-18/h4-16,27-28H,17H2,1-3H3/b25-22+