2,3-dihydro-1,4-benzodioxin-3-yl-[4-[4-(2-phenylethynyl)phenyl]carbonylpiperazin-1-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[4-(2-phenylethynyl)phenyl]carbonylpiperazin-1-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[4-(2-phenylethynyl)benzoyl]piperazin-1-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[oxo-[4-(2-phenylethynyl)phenyl]methyl]-1-piperazinyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[4-(2-phenylethynyl)benzoyl]piperazin-1-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[4-(2-phenylethynyl)benzoyl]piperazino]methanone Formula: C28H24N2O4 MolecularWeight: 452.50116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)C#CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)C#CC5=CC=CC=C5

InChI

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