2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-6-nitro-quinoline

Systemtic Name: 2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-6-nitro-quinoline Openeye Name: 2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-6-nitro-quinoline CAS Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-6-nitroquinoline IUPAC Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-6-nitroquinoline Traditional Name: 2-[4-(2-chloro-6-fluoro-benzyl)piperazino]-6-nitro-quinoline Formula: C20H18ClFN4O2 MolecularWeight: 400.833923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C3=NC4=C(C=C3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C3=NC4=C(C=C3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClFN4O2/c21-17-2-1-3-18(22)16(17)13-24-8-10-25(11-9-24)20-7-4-14-12-15(26(27)28)5-6-19(14)23-20/h1-7,12H,8-11,13H2