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

Systemtic Name: 1-benzofuran-2-yl-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: benzofuran-2-yl-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: 2-benzofuranyl-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: 1-benzofuran-2-yl-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: benzofuran-2-yl-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazino]methanone Formula: C28H26N4O4 MolecularWeight: 482.53044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC6=CC=CC=C6O5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC6=CC=CC=C6O5)[N+](=O)[O-]

InChI

InChI=1S/C28H26N4O4/c33-28(27-17-21-6-3-4-8-26(21)36-27)30-15-13-29(14-16-30)23-9-10-24(32(34)35)25(18-23)31-12-11-20-5-1-2-7-22(20)19-31/h1-10,17-18H,11-16,19H2