5-(1,3-benzodioxol-5-yl)-6-(2-imidazol-1-yl-1-phenyl-ethoxy)-3,4-dihydro-2H-naphthalen-1-one

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-6-(2-imidazol-1-yl-1-phenyl-ethoxy)-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 5-(1,3-benzodioxol-5-yl)-6-(2-imidazol-1-yl-1-phenyl-ethoxy)tetralin-1-one CAS Name: 5-(1,3-benzodioxol-5-yl)-6-[2-(1-imidazolyl)-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: 5-(1,3-benzodioxol-5-yl)-6-(2-imidazol-1-yl-1-phenylethoxy)-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 5-(1,3-benzodioxol-5-yl)-6-(2-imidazol-1-yl-1-phenyl-ethoxy)tetralin-1-one Formula: C28H24N2O4 MolecularWeight: 452.50116

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2C3=CC4=C(C=C3)OCO4)OC(CN5C=CN=C5)C6=CC=CC=C6)C(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2C3=CC4=C(C=C3)OCO4)OC(CN5C=CN=C5)C6=CC=CC=C6)C(=O)C1

InChI

InChI=1S/C28H24N2O4/c31-23-8-4-7-22-21(23)10-12-25(28(22)20-9-11-24-26(15-20)33-18-32-24)34-27(16-30-14-13-29-17-30)19-5-2-1-3-6-19/h1-3,5-6,9-15,17,27H,4,7-8,16,18H2