[4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoranyl-2-nitro-phenyl]piperazin-1-yl]-(3-fluorophenyl)methanone

Systemtic Name: [4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoranyl-2-nitro-phenyl]piperazin-1-yl]-(3-fluorophenyl)methanone Openeye Name: [4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoro-2-nitro-phenyl]piperazin-1-yl]-(3-fluorophenyl)methanone CAS Name: [4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoro-2-nitrophenyl]-1-piperazinyl]-(3-fluorophenyl)methanone IUPAC Name: [4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl]-(3-fluorophenyl)methanone Traditional Name: [4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoro-2-nitro-phenyl]piperazino]-(3-fluorophenyl)methanone Formula: C26H24F2N4O3 MolecularWeight: 478.490566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24F2N4O3/c27-21-7-3-6-19(14-21)26(33)30-12-10-29(11-13-30)24-16-23(22(28)15-25(24)32(34)35)31-9-8-18-4-1-2-5-20(18)17-31/h1-7,14-16H,8-13,17H2