[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-nitro-phenyl]-phenyl-methanone

Systemtic Name: [4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[4-(coumaran-5-ylmethyl)piperazino]-3-nitro-phenyl]-phenyl-methanone Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H25N3O4/c30-26(20-4-2-1-3-5-20)22-7-8-23(24(17-22)29(31)32)28-13-11-27(12-14-28)18-19-6-9-25-21(16-19)10-15-33-25/h1-9,16-17H,10-15,18H2