[4-(4-nitrophenyl)piperazin-1-yl]-[2-phenyl-5-(2-phenylethynyl)-1-benzofuran-7-yl]methanone

Systemtic Name: [4-(4-nitrophenyl)piperazin-1-yl]-[2-phenyl-5-(2-phenylethynyl)-1-benzofuran-7-yl]methanone Openeye Name: [4-(4-nitrophenyl)piperazin-1-yl]-[2-phenyl-5-(2-phenylethynyl)benzofuran-7-yl]methanone CAS Name: [4-(4-nitrophenyl)-1-piperazinyl]-[2-phenyl-5-(2-phenylethynyl)-7-benzofuranyl]methanone IUPAC Name: [4-(4-nitrophenyl)piperazin-1-yl]-[2-phenyl-5-(2-phenylethynyl)-1-benzofuran-7-yl]methanone Traditional Name: [4-(4-nitrophenyl)piperazino]-[2-phenyl-5-(2-phenylethynyl)benzofuran-7-yl]methanone Formula: C33H25N3O4 MolecularWeight: 527.5693

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC(=CC4=C3OC(=C4)C5=CC=CC=C5)C#CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC(=CC4=C3OC(=C4)C5=CC=CC=C5)C#CC6=CC=CC=C6

InChI

InChI=1S/C33H25N3O4/c37-33(35-19-17-34(18-20-35)28-13-15-29(16-14-28)36(38)39)30-22-25(12-11-24-7-3-1-4-8-24)21-27-23-31(40-32(27)30)26-9-5-2-6-10-26/h1-10,13-16,21-23H,17-20H2