5-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-8-nitro-isoquinoline

Systemtic Name: 5-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-8-nitro-isoquinoline Openeye Name: 5-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-8-nitro-isoquinoline CAS Name: 5-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-8-nitroisoquinoline IUPAC Name: 5-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-8-nitroisoquinoline Traditional Name: 5-[4-[bis(4-fluorophenyl)methyl]piperazino]-8-nitro-isoquinoline Formula: C26H22F2N4O2 MolecularWeight: 460.475286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H22F2N4O2/c27-20-5-1-18(2-6-20)26(19-3-7-21(28)8-4-19)31-15-13-30(14-16-31)24-9-10-25(32(33)34)23-17-29-12-11-22(23)24/h1-12,17,26H,13-16H2