(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-3-(4-hexoxyphenyl)imidazol-4-one

Systemtic Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-3-(4-hexoxyphenyl)imidazol-4-one Openeye Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylene)-2-(4-bromophenyl)-3-(4-hexoxyphenyl)imidazol-4-one CAS Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-3-(4-hexoxyphenyl)-4-imidazolone IUPAC Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-3-(4-hexoxyphenyl)imidazol-4-one Traditional Name: (5Z)-2-(4-bromophenyl)-3-(4-hexoxyphenyl)-5-piperonylidene-2-imidazolin-4-one Formula: C29H27BrN2O4 MolecularWeight: 547.43968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2C(=NC(=CC3=CC4=C(C=C3)OCO4)C2=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2C(=N/C(=C\C3=CC4=C(C=C3)OCO4)/C2=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C29H27BrN2O4/c1-2-3-4-5-16-34-24-13-11-23(12-14-24)32-28(21-7-9-22(30)10-8-21)31-25(29(32)33)17-20-6-15-26-27(18-20)36-19-35-26/h6-15,17-18H,2-5,16,19H2,1H3/b25-17-