[4-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-3-nitro-phenyl]-phenyl-methanone

Systemtic Name: [4-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[4-(3-fluoro-4-methoxy-benzyl)piperazino]-3-nitro-phenyl]-phenyl-methanone Formula: C25H24FN3O4 MolecularWeight: 449.474163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-])F

InChI

InChI=1S/C25H24FN3O4/c1-33-24-10-7-18(15-21(24)26)17-27-11-13-28(14-12-27)22-9-8-20(16-23(22)29(31)32)25(30)19-5-3-2-4-6-19/h2-10,15-16H,11-14,17H2,1H3