(E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one Openeye Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one CAS Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[4-(1-imidazolyl)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)C=CC3=CC=C(C=C3)N4C=CN=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)N4C=CN=C4)OC1

InChI

InChI=1S/C21H18N2O3/c24-19(17-5-9-20-21(14-17)26-13-1-12-25-20)8-4-16-2-6-18(7-3-16)23-11-10-22-15-23/h2-11,14-15H,1,12-13H2/b8-4+